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Electronic excitation energy calculation by the fragment molecular orbital method with three-body effects
J. Chem. Phys. 133, 044113 (2010); 10.1063/1.3462247
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COMPUTATIONAL PHYSICS
The Computational Physics Section publishes articles that help students and their instructors learn about
the physics and the computational tools used in contemporary research. Most articles will be solicited, but
interested authors should email a proposal to the editors of the Section, Jan Tobochnik (jant@kzoo.edu)
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graduate students.
609 Am. J. Phys. 82 (6), June 2014 http://aapt.org/ajp C 2014 American Association of Physics Teachers
V 609
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Gm2 ½y2 ðtÞ y1 ðtÞ III. SEARCH METHOD FOR PERIODIC ORBITS
y€1 ðtÞ ¼ h i3=2
ðx1 ðtÞ x2 ðtÞÞ2 þ ðy1 ðtÞ y2 ðtÞÞ2 A. The return proximity function
Gm3 ½y1 ðtÞ y3 ðtÞ The return proximity function dðX0 ; T0 Þ in phase space is
h i3=2 ; (2) defined as the absolute minimum of the distance from the
ðx1 ðtÞ x3 ðtÞÞ2 þ ðy1 ðtÞ y3 ðtÞÞ2 initial condition by dðX0 ; T0 Þ ¼ mintT0 jXðtÞ X0 j, where
vffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
u 3
uX X 3
plus another two pairs of equations with 1 ! 2 ! 3 and jXðtÞ X0 j ¼ t ½ri ðtÞ ri ð0Þ2 þ ½pi ðtÞ pi ð0Þ2
1 ! 3 ! 2. Note that the numerators in Eqs. (1) and (2) go i i
to zero when ri ! rj ; that is, there are singularities in the
equations of motion when any pair of bodies collide. (4)
Equations (1) and (2) need to be solved numerically by is the distance (Euclidean norm) between two 12-vectors in
using Runge-Kutta methods or almost any ordinary differen- phase space (the Cartesian coordinates and velocities of all
tial equation solver. The main restriction on the choice of nu- three bodies without removing the center-of-mass motion). We
merical method stems from the fact that although we are define the return time sðX0 ; T0 Þ as the time for which this mini-
searching for collisionless orbits and formally need not mum is reached.29 Searching for periodic solutions with a pe-
worry about “hitting” a singularity, some periodic orbits pass riod T smaller then a parameter T0 is equivalent to finding zeros
close to one or more of these singularities, in which case the of the return proximity function. The initial value of T0 was
numerical error increases. This behavior requires a shorter taken to be around 100, significantly higher than 6.235, the pe-
time step, but there may be long sections of the orbit that are riod of the figure-eight solution. The algorithm for finding zeros
far away from singularities where the choice of a longer time of the return proximity function is as follows. For steps (2) and
step is justified and would substantially speed up the compu- (3), we used the Runge-Kutta-Fehlberg algorithm,27,28 but any
tation. Therefore, adaptive time step methods which allow a other adaptive time step integration method can be chosen.
variable time step are the best choice for the present prob-
lem. Unfortunately, adaptive time step methods usually ex- 1. Choose an initial condition X0 , a maximum period T0,
hibit energy drift in contrast to symplectic algorithms. and the numerical precision .30
However, the latter do not allow straightforward implemen- 2. Compute the time step Dt so that the calculation error is
tation of the adaptive-step feature.26 We have chosen an less than .
adaptive step Runge-Kutta-Fehlberg method,27,28 although 3. Compute Xiþ1 from Xi by integrating the equations of
this choice is not obligatory. The adaptivity of the time step motion.
has certain drawbacks in the calculation of orbits with a pre- 4. Calculate the distance from the initial condition by linear
defined period, as discussed in Sec. III F. interpolation:
The value of the gravitational constant GP used in the com-
ðXiþ1 Xi Þ ðX0 Xi Þ
putations and the average mass m ¼ 13 3i¼1 mi can be d ¼ ðX0 Xi Þ 2
ðX iþ1 X Þ
i :
changed by using simple scaling rules, as discussed in Sec. jXiþ1 Xi j
IV B 1. What cannot be changed by such a rescaling are the (5)
mass ratios m1 =m2 , m3 =m1 , and m2 =m3 . These ratios, to-
gether with the total energy E and the total angular momen- 5. Initially d will increase from its value d ¼ 0 at t ¼ 0. If
tum L, are an essential part of the specification of an orbit. and when the value of d decreases, we check to see if the
One way to obtain more solutions, which we will consider to value of d is minimal, and if yes, we store this value.
be in the same family of solutions, is to change the value(s) 6. Repeat steps (2)–(4) while t < T0 .
of L and/or the mass ratios. In all the numerical calculations The result of this procedure is the minimum value of d. If
we discuss, the masses m1, m2, m3, and the gravitational con- dmin is less than some arbitrary tolerance, we use it as a can-
stant G are set to unity, but we will discuss more general didate for a periodic solution. This tolerance was 104 in our
choices, for readers who wish to extend the calculations to calculations, but can be tuned to improve the results. Note
unequal masses. that this tolerance is not the final minimum, because we then
To solve for the evolution of the three two-vectors apply the gradient descent method, which we will describe
ðr1 ðtÞ; r2 ðtÞ; r3 ðtÞÞ and their time derivatives ðp1 ðtÞ; p2 ðtÞ; later. The value of the tolerance plays the role of an initial
p3 ðtÞÞ, we need to specify their initial conditions. That is, filter to select candidate regions in phase space.
we need to know six two-vectors, which we denote by the
12-vector B. Three-body variables
XðtÞ ¼ r1 ðtÞ; r2 ðtÞ; r3 ðtÞ; p1 ðtÞ; p2 ðtÞ; p3 ðtÞ (3) Because the return proximity function is a function of
twelve variables, it is difficult to systematically vary all twelve
at the initial time t ¼ 0. initial conditions to find a periodic solution. Thus, it is advisa-
Absolute periodicity of the solution implies that XðtÞ ble to eliminate all constants of the motion and reduce the
returns to its initial value X0 ¼ Xð0Þ at time t ¼ T, where T number of variables of the proximity function. We first use
is the period. There is another kind of periodicity, relative the obvious symmetries of the three-body system such as
periodicity, in which all relative positions and relative veloc- translational symmetry to set the total momentum equal to
ities return to their initial values, but the orientation in the zero and use rotational invariance. One way to do the latter is
plane has changed by an overall rotation angle. A solution by changing the three-body variables to relative (Jacobi) ones.
with relative periodicity can be made absolutely periodic by We next introduce the relative three-body coordinates and
tuning the angular momentum. the shape sphere. We will use the latter for classifying periodic
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Fig. 1. The two, three-body Jacobi coordinates q; k.
RCM is a constant of the motion if the total linear momentum three bodies, not on R or on its orientation. The equatorial
P ¼ m1 r_ 1 þ m2 r_ 2 þ m3 r_ 3 equals zero. For this reason, we circle corresponds to collinear three-body configurations
can reduce the number of variables in the proximity function (degenerate triangles). The three points shown in Fig. 2 cor-
dðX0 ; T0 Þ from twelve to eight. respond to two-body collisions, that is, singularities in the
The graphical representation of the three-body dynamics potential. We have constructed an applet33 that allows users
is simplified by using the two relative coordinate vectors to interactively explore the relation between the shape of the
introduced by Carl Jacobi36 (see Fig. 1), triangle and its position on the shape-space sphere.
Two angles parametrizing the shape sphere together with the
1 1 hyperradius R define the three-dimensional configuration space
q ¼ pffiffiffi ðr1 r2 Þ and k ¼ pffiffiffi ðr1 þ r2 2r3 Þ; (7)
2 6 of the planar three-body problem. (The total rotation angle can
be reconstructed from the trajectory in this space and the condi-
which are applicable even for unequal masses. We solve Eqs. tion for angular momentum conservation.) Thus the nominal
(1) and (2) using Cartesian coordinates and then use q and k to dimension of phase space is 6 ¼ 3 þ 3, with the three general-
graphically represent the solutions. The mass-weighted Jacobi ized coordinates describing the configuration space and three
vectors are not necessary for solving the equations of motion, conjugate generalized momenta. Size or energy scaling reduces
nor do they represent the true geometry of the three-body trajec- the dimension to five. Using the property that “with the excep-
tories. Consequently, they can be avoided altogether. tion of Lagrange’s solution, every solution with zero angular
There are three independent scalar three-body
pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi variables: momentum to the Newtonian three-body problem suffers
k2 , q2 , and q k. The hyperradius R ¼ q2 þ k2 character- syzygies,”34,35 we can always choose a collinear configuration
izes the overall size of the orbit and removes one of the three for the initial conditions, without losing a potential periodic so-
scalar variables. We may relate the three scalar variables to lution. This second constraint further reduces the dimension of
the unit three-vector n^ defined by the Cartesian components phase space by one, and leaves a four-dimensional space of ini-
tial conditions for periodic orbits.
2q k k2 q2 2ðq kÞ ez
^¼
n ; ; : (8)
R2 R2 R2 C. Absolute periodic orbits
The domain of these three-body variables is a sphere with We can define the reduced return proximity function in
unit radius,31,32 as illustrated in Fig. 2. The sphere coordi- phase space as the absolute minimum of the distance from the
nates depend only on the shape of the triangle formed by the initial condition by dðY0 ; T0 Þ ¼ mintT0 jYðtÞ Y0 j, where
qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
jYðtÞ Y0 j ¼ ½qðtÞ qð0Þ2 þ ½kðtÞ kð0Þ2 þ ½qðtÞ _ qð0Þ _ 2
þ ½kðtÞ_ kð0Þ _ 2
(9)
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Fig. 4. Initial conditions in the two-dimensional search subspace; symmetric
configuration with parallel velocities.
solution. For the Euler solution it is the Euler point; that is,
the intersection of the symmetry meridian and the equator
on the shape sphere (see Fig. 3). The Euler point corre-
sponds to a collinear configuration, with one body exactly
Fig. 3. The equipotential contours for the equal-mass three-body potential in the middle between the other two (see Fig. 4). Thus we
(solid) on the shape sphere, as seen from (infinitely) high above the north or see that the hyper-angular degree of freedom on the shape
south poles. The three straight lines (dashed) correspond to three binary per- sphere is “frozen” in these two orbits and the dynamics is
mutations, or transpositions, S2 subgroups of the full permutation group S3.
Two rotations by / ¼ 62p=3 about the axis out of the plane of the figure
reduced to hyper-radial motion. That is also the reason why
correspond to two cyclic three-body permutations. Note the symmetry of the these two solutions can be solved in closed form.37–39
contours under the reflections about the three transposition lines and the two 2. The second oldest family of solutions, due to Broucke-
rotations. Note also the accumulation of contour lines at the two-body colli- Hadjidemetriou-Henon,14–20 has trajectories in the form of
sion points (larger solid circles), and the decrease of the density of contours symmetrical ovals on the shape sphere. These ovals have two
at the three Euler points (smaller solid circles) and the north/south pole. axes of symmetry: the Euler or symmetry meridian, and the
equator, and are centered on one of the two-body collision
D. Relative periodic orbits points. Perusal of Refs. 14, 18–20 shows that these authors
used symmetry principles corresponding to our symmetry
To eliminate rotational symmetry and thus to search only
argument (although they did not use the shape sphere).
for relative periodic orbits, we define the 6-vector,
3. The third family contains Moore’s and Simo’s figure-
ZðtÞ ¼ ðx; y; z; x; _ z_ Þ, where
_ y;
eight solutions, as well as several of their satellites.21–24
2q k k2 q2 2ðq kÞ ez These solutions have a truly global form on the shape
x¼ ; y¼ ; z¼ (10) sphere, encircling it twice (see Fig. 2). This family takes
R R R into account the full permutation symmetry, and not just
are the shape sphere coordinates multiplied by the hyperradius one of its two-body subgroups. The initial conditions for
R. By using the relative return proximity function, both Moore’s and Simo’s figure-eight solutions corre-
dðZ0 ; T0 Þ ¼ mintT0 jZðtÞ Z0 j; in the minimization proce- spond to one such point—the Euler point.
dure, we are effectively searching for relative periodic orbits. Thus, perhaps the simplest way of reducing the dimension
The six variables in ZðtÞ are subject to energy conservation, of the search space is to take a point on one of the three
which reduces its dimension to five, as explained in Sec. III B. transposition lines in Fig. 3, that is, on one of three symme-
The choice of a collinear configuration (a syzygy) for the ini- try, or Euler meridians on the shape sphere. The most sym-
tial configuration, or equivalently a point on the equator of the metric among them is the Euler point itself. The rest of the
shape sphere, forms the second constraint and leaves a four- initial conditions of Moore’s and Simo’s figure-eight solu-
dimensional “hunting ground” for periodic orbits. tions are determined by the condition that the time derivative
of the hyperradius vanishes at the initial time Rj _ t¼0 ¼ 0 and
E. Choice of initial conditions that the angular momentum vanishes. We will continue to
To make the search of the nonlinear four-dimensional use these two conditions, although they should be relaxed in
space more manageable, we next reduce its dimension by a the future. This use is not to say that this choice is the only
judicious choice of the initial configuration. A useful tool for potentially useful initial shape, but it has been fruitful so far.
doing this reduction is symmetry. For three equal masses, In this subspace of the full initial condition phase space,
the only remaining symmetry is three-body permutation the three particles’ initial conditions are specified by only
symmetry—both the kinetic and the potential energies are two parameters, the initial velocities x_ 1 ð0Þ and y_ 1 ð0Þ. The
symmetric under permutations (see Fig. 3). Therefore, it is other initial conditions are given by x1 ð0Þ ¼ x2 ð0Þ ¼ 1,
reasonable to choose an initial configuration that respects the x3 ð0Þ ¼ 0, y1 ð0Þ ¼ y2 ð0Þ ¼ y3 ð0Þ ¼ 0, x_ 2 ð0Þ ¼ x_ 1 ð0Þ,
permutation symmetry of the problem: in other words, one x_ 3 ð0Þ ¼ 2x_ 1 ð0Þ, y_ 2 ð0Þ ¼ y_ 1 ð0Þ, and y_ 3 ð0Þ ¼ 2y_ 1 ð0Þ.
that leads to an orbit that has (at least some part of) the same Therefore this two-dimensional subspace can be parame-
symmetry as the Hamiltonian. A quick look at the known trized with components of the velocity 2-vector ðvx
solutions helps to decide how to proceed. ¼ x_ 1 ð0Þ; vy ¼ y_ 1 ð0ÞÞ (see Fig. 4). Note that only a limited
region of this subspace (the “inside” of the (circular) border
1. The oldest solutions known to us, those due to Lagrange curve between the dark and light regions visible in the
and Euler,12,13 correspond to single points on the shape upper-left-hand corner in Fig. 9) corresponds to negative
sphere—the north (or south) pole for the Lagrange energies, that is, to bounded motions.
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2. For each grid point ði; jÞ, where 2 i 2 and
2 j 2, compute the initial condition X0 using the
following:
p1 ¼ p1;0 þ i dp ; (14)
p2 ¼ p2;0 þ j dp ; (15)
X0 ¼ f1; 0; 1; 0; 0; 0; p1 ; p2 ; p1 ; p2 ; 2p1 ; 2p2 g:
(16)
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Fig. 6. The two elements ða; bÞ of the free group.
full turn around the other puncture (see Fig. 6), then every
closed curve in such a plane can be described by a sequence
of letters a and b, and their inverses a1 ¼ A, and b1 ¼ B,
which we denote by upper case letters. A specific sequence
of letters, or word, is not the only descriptor of a specific
closed curve (periodic orbit) because there is no preferred
starting point of a periodic orbit, and thus any other word
that can be obtained by a cyclic permutation of the letters in
the original word is an equally good descriptor of such an
orbit. The set of all cyclically permuted words is the afore-
mentioned conjugacy class of a free group element (word).
For example, the conjugacy class of the free group element
aB also contains the word Ba.
Moreover, the time-reversed orbits correspond to physi-
cally identical solutions, but their free group elements and
their conjugacy classes are generally different. So, for exam-
ple, families of orbits described by a and A are equivalent,
but families ab and AB are not because the inverse of ab is
BA, not AB. There is another ambiguity concerning the sim-
plest families of orbits (a and b). As can be seen in Fig. 7 by
applying the stereographic projection of the shape sphere Fig. 8. Three topologically equivalent views of the figure-eight orbit on the
onto a plane, a simple loop around the third (“infinite”) punc- shape sphere in Mollweide projection, wherein the third pole on the equator
ture on the shape sphere corresponds to aB, a loop around is split into two halves, one of each being displayed at the eastern and the
both poles in the plane, but a single loop around any one of western “end”: (a) the original orbit, as in Fig. 2; (b) a deformed version,
wherein the orbit is slid over the North and South poles; (c) the final version,
the three punctures on the original shape sphere must be adapted to the reading of the free group element, see Fig. 6.
equivalent to either of the two remaining punctures; conse-
quently, aB is equivalent to a and b. ping-pong or rubber ball, representing the shape-sphere, with
The reading of the free group words for new orbits can be three pins that represent the three collision points on the
done by visually following the orbit and counting the number equator, and a (closed) rubber band that represents the trajec-
of times it circles around one or the other preferred puncture tory. We insert the rubber band around the three pins
in the shape sphere. Take, for example the figure-eight
orbit:21,22 its trajectory on the shape sphere, Fig. 2 can be
distorted as in Fig. 8 and is related to the conjugacy class of
the word abAB.10
For illustration purposes, we can make a mechanical
model to help with this counting. The model consists of a
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according to the found solution, and then stretch it and/or B. Other identification methods
slide it around until it clings only to two pins. Then we can
read off the free group word from the rubber band tangle 1. Scaling
around the two pins. Two systems of three identical particles with different val-
This counting can be done easily for sufficiently short and ues of their overall positions and velocities (hence also with
simple orbits, but the method quickly becomes tiresome, different energies) have similar solutions if they can be
unreliable, and difficult for long words, such as seen in the scaled into each other.41 To check if two periodic solutions
lower rows of Table I. For this reason, we have devised a are equivalent up to a scaling of their spatial and temporal
program, described in the Appendix, which reads the free coordinates, we let r ! ar. Then by Eqs. (1) and (2), weplet
group word from the solution by analyzing the sequence of ffiffiffi
t ! a3=2 t. Consequently, the velocity scales as v ! v= a,
the equator segments that the trajectory passes in one period. the total energy scales as E ! a1 E, and the period T as
This program is available at the Orbitopedia website.43 T ! a3=2 T. Hence, the equivalency consists of rescaling the
The figure-eight orbit21,22 is related to the conjugacy class solutions described by the same free group word to the same
of the word abAB.10 The figure-eight solution can be (total) energy and then checking if their (rescaled) periods
described as a slalom; that is, as a motion in a zigzag manner are identical. If the answer is no, the two solutions are clearly
on the shape sphere between the two-body singularities, distinct; if the answer is positive, such as in the case of
while drifting in the same general direction along the equa- Moore’s and Simo’s figure-eights, we must use other meth-
tor, for example, eastward or westward (see Fig. 2). As a ods of distinguishing between them. For example, we may
consequence of parity, the number of full turns (the winding look at some specific point on the shape sphere, such as the
number) around the shape sphere sufficient to reach the ini- Euler point, and test if the orbit passes through it. Or, we
tial conditions must be even, and the minimal number is two, may look at the specifics of the hyperradial motion, which
as is the case for the choreographic figure-eight orbit,24 as distinguishes between the two orbits, as for the case of the
well as its non-choreographic cousin found by Simo.23 two figure-eight solutions.
Besides periodic solutions with a simple free group word w,
consisting of the letters a, b, A, B, that is, w ¼ wða; b; A; BÞ,
2. How to recognize a choreography?
there are satellite orbits, which are described by free group
words that are integer powers of the original simple word, that Choreographic motions, or choreographies for short, are
is, wk ¼ wk ða; b; A; BÞ, where k is an integer. For example, periodic orbits of few-body systems in which all bodies
there are orbits that track around the shape sphere’s equator move along the same trajectory with an equal time delay.
(either westward or eastward) 2k times, while slaloming For three body systems, the masses follow each other with
between the two-body collision points, before closing the the time delay T=3, where T is the period. Therefore, when
loop. Such curves, with a winding number 2k, belong to we observe a choreographic solution delayed by T=3, we see
the conjugacy class of the free group element (abAB)k, the same motion as without this delay, but with a cyclic per-
and are called figure-8 (k) satellites. For specific examples mutation of the three particles.42 This condition for choreo-
see Sec. V B. ^
graphic motion implies that Xðt þ T=3Þ ¼ PXðtÞ, where P^ is
Table I. Initial conditions and periods for periodic three-body orbits.10 x_ 1 ð0Þ; y_ 1 ð0Þ are the first particle’s initial velocities in the x- and y-directions, respec-
tively, and T is the period. The other two particles’ initial conditions are specified by two parameters as x1 ð0Þ ¼ x2 ð0Þ ¼ 1, x3 ð0Þ ¼ 0,
y1 ð0Þ ¼ y2 ð0Þ ¼ y3 ð0Þ ¼ 0, x_ 2 ð0Þ ¼ x_ 1 ð0Þ, x_ 3 ð0Þ ¼ 2x_ 1 ð0Þ, y_ 2 ð0Þ ¼ y_ 1 ð0Þ, y_ 3 ð0Þ ¼ 2y_ 1 ð0Þ. The gravitational constant G is taken to be G ¼ 1 and
m1;2;3 ¼ 1. All solutions have inversion partners (mirror images) in all four quadrants; that is, if x_ 1 ð0Þ; y_ 1 ð0Þ is a solution, so are 6x_ 1 ð0Þ; 6y_ 1 ð0Þ. Some of
these partners are identical to the originals, others are identical up to time-reversal, and others are related to the originals by a reflection; we consider all of
them to be physically equivalent to the originals. Note that two pairs of initial conditions in the same quadrant (II.C.2a and II.C.2b; and II.C.3a and II.C.3b)
specify only two independent solutions. See the text for explanation.
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a cyclic permutation of the three bodies. On the shape sphere
the cyclic permutation P^ has a simple representation, which
is rotation by 2p=3 around the vertical z-axis. Therefore, the
trajectory on the shape sphere is symmetrical under rotation
by 2p=3. This fact can be used when making a dedicated
search for choreographies. The space of initial conditions
can be chosen as before for non-choreographic orbits, but
^
one would have to use the condition Xðt þ T=3Þ ¼ PXðtÞ as
the “filter” instead of the usual periodicity condition Xðt
þTÞ ¼ XðtÞ in the definition of the choreographic return
proximity function dchoreo ðX0 ; T0 Þ.
First we summarize the results from Ref. 10. By using C. Satellites of other known orbits: Promising hunting
course-grained steps in our scan of the velocity search plane grounds
(the two-dimensional subspace of the full four-dimensional
phase space of initial conditions), we found about 50 differ- Other stable orbits in Table I are likely to have satellites
ent regions containing candidates for periodic orbits, with a of their own. Table I reveals that the “yarn” solution, II.B.1,
return proximity of 101 in phase space. We then used the is the third power of the “moth I” orbit, I.B.1. Consequently,
gradient descent method40 to refine these initial conditions we expect higher-order satellites of moth I to exist with
so that the return proximity became less then <106 . We
found 15 solutions, 13 of which are distinct, which can be Table II. Initial conditions and periods of three-body orbits found by a
classified into 12 topologically distinct families, as listed in detailed search in the vicinity of the figure-8 solutions. Here x_ 1 ð0Þ; y_ 1 ð0Þ are
Table I. The reduction of the number of independent orbits the first particle’s initial velocities in the x- and y-directions, respectively, T
occurs because two pairs of initial conditions (yin-yang I and is the period, and k is the slalom power (that is, ðabABÞk is the homotopy
II) specify only two independent solutions, the respective class of the orbit). We also list Moore’s (M8) and Sim o’s (S8) figure-eight
members of the pairs are related by a simple rescaling of orbits, for comparison.
space and time, and because two distinct solutions (butterfly
Label x_ 1 ð0Þ y_ 1 ð0Þ T k
I and II) belong to the same topological class.
Both the return proximity function dðX0 ; T0 Þ and the M8 0.3471128135672417 0.532726851767674 6.3250 1
return time sðX0 ; T0 Þ were calculated. Only the return prox- S8 0.3393928985595663 0.536191205596924 6.2917 1
imity function is shown in Fig. 9. For each local minimum of NC1 0.2554309326049807 0.516385834327506 35.042 7
the return proximity function less then 104 (bright dots in NC2 0.4103549868164067 0.551985438720704 57.544 7
Fig. 9) we used the simple gradient descent method on this O1 0.2034916865234370 0.5181128588867190 32.850 7
grid to find the position of the minimum (root) more accu- O2 0.4568108129224680 0.5403305086130216 64.834 7
rately. All minima below 106 are listed in Table I and are O3 0.2022171409759519 0.5311040339355467 53.621 11
labeled in Fig. 9. O4 0.2712627822083244 0.5132559436920279 55.915 11
O5 0.2300043496704103 0.5323028446350102 71.011 14
B. Satellites of the figure-eight orbit O6 0.2108318037109371 0.5174100244140625 80.323 17
O7 0.2132731670875545 0.5165434524230961 80.356 17
Subsequent to Ref. 10, Suvakov 24
focused his numerical O8 0.2138543002929687 0.5198665707397461 81.217 17
search on a smaller window in the same two-dimensional sub- O9 0.2193730914764402 0.5177814195442197 81.271 17
space around the figure-eight initial conditions: x_ 1 ð0Þ 2 O10 0.2272123532714848 0.5200484344272606 82.671 17
ð0:20; 0:45Þ, y_ 1 ð0Þ 2 ð0:51; 0:56Þ, with all other initial values O11 0.2199766127929685 0.5234338500976567 82.743 17
remaining the same as in Ref. 10. The equations of motion O12 0.2266987607727048 0.5246235168190009 83.786 17
were integrated up to time T0 ¼ 100, where the time unit is O13 0.2686383642458915 0.5227270888731481 88.674 17
fixed by the condition that G ¼ 1 ¼ mi ; i ¼ 1; 2; 3, for each O14 0.2605047016601568 0.5311685141601564 89.941 17
initial condition out of the 125 1000 possibilities (points on O15 0.2899041109619139 0.5226240653076171 91.982 17
the grid) within the search window. The minima of the return
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141.218.1.105 On: Wed, 20 Aug 2014 21:46:26
periods that are longer than 100. This neighborhood is per- Table III. Substitution rules for two subsequent entries ð‘syz; i ; ‘syz; iþ1 Þ in the
haps the most promising for orbit hunting. sequence of syzygies into a sequence of directed semi-circles
Orbits other than moth I may have satellites of their own (A; B; C; D; E; F ; G; H). Note the dependence on the parity of the number of
equator crossings.
whose periods are longer than 100, and/or whose orbits do
not pass through any of the Euler points, which would ð‘syz;i ; ‘syz;iþ1 Þ odd i even i
explain why they have not yet been found. Each of the 13
recently found orbits should have its neighborhood examined (12) F D
more carefully than has been done so far. To do so means (13) FA DG
increasing T0 and making the grid mesh finer, as was done in (21) B H
Ref. 24 for the figure-eight solutions. (23) A G
We have set up a wiki-based web site,43 Orbitopedia, of (31) EB CH
three-body orbits, where users can submit newly found orbits (32) E C
and check if they coincide with some previously known
orbit.
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141.218.1.105 On: Wed, 20 Aug 2014 21:46:26
19
Table IV. Substitution rules for the conversion of a pair of directed semi- M. Henon, “A family of periodic solutions of the planar three-body prob-
circles into one free group element (“letter”). lem, and their stability,” Celest. Mech. 13, 267–285 (1976).
20
M. Henon, “Stability of interplay motions,” Celest. Mech. 15, 243–261
ð‘hc; 2i1 ; ‘hc; 2i Þ (1977).
21
C. Moore, “Braids in classical gravity,” Phys. Rev. Lett. 70, 3675–3679
AC a (1993).
22
GE A A. Chenciner and R. Montgomery, “A remarkable periodic solution of the
BD b three-body problem in the case of equal masses,” Ann. Math. 152,
881–901 (2000).
HF B 23
C. Sim o, “Dynamical properties of the figure eight solution of the three-
body problem,” in Celestial Mechanics, edited by Alain Chenciner,
Richard Cushman, Clark Robinson, and Zhihong Jeff Xia (AMS,
Providence, RI, 2002).
pole. This loop corresponds to the sequence f2; 1; 2g of
24
M. Suvakov, “Numerical search for periodic solutions in the vicinity of
equator crossings, which according to Table III corresponds the figure-eight orbit: Slaloming around singularities on the shape sphere,”
e-print arXiv:1312.7002.
to the sequence of directed semi-circles BD, which, in turn, 25
B. Leimkuhler and S. Reich, Simulating Hamiltonian Dynamics
corresponds to the free group letter b, according to Table IV. (Cambridge U.P., Cambridge, 2004), Chaps. 1–4.
Problem. Implement the algorithm to read the free group 26
A. S. Richardson and J. M. Finn, “Symplectic integrators with adaptive
element of the figure-8 orbit in Fig. 8. time steps,” e-print arXiv:1108.0322v1.
27
Erwin Fehlberg, “Low-order classical Runge-Kutta formulas with step
size control and their application to some heat transfer problems,” NASA
a)
Electronic mail: suki@ipb.ac.rs Technical Report 315 (1969) (unpublished). See also “Klassische Runge-
b)
Electronic mail: dmitrasin@ipb.ac.rs Kutta-Formeln vierter und niedrigerer Ordnung mit Schrittweiten-
1
J. V. Jose and E. J. Saletan, Classical Dynamics: A Contemporary Kontrolle und ihre Anwendung auf W€armeleitungsprobleme,” Computing
Approach (Cambridge U.P., Cambridge, 1998), Chap. 7.5. (Arch. Elektron. Rechnen) 6, 61–71 (1970).
2 28
D. Hestenes, New Foundations for Classical Mechanics, 2nd ed. (Kluwer Ernst Hairer, Syvert Nørsett, and Gerhard Wanner, Solving Ordinary
Academic Publishers, New York, 1999), Sec. 6-5. Differential Equations I: Nonstiff Problems, 2nd ed. (Springer-Verlag,
3
H. Goldstein, C. Poole, and J. Safko, Classical Mechanics, 3rd ed. Berlin, 1993), Chap. II.5.
29
(Addison-Wesley, San Francisco, 2000), Chap. 11. More formally sðX0 ; T0 Þ ¼ arg mintT0 jXðtÞ X0 j Here j j presents the
4
W. Greiner, Classical Mechanics: Systems of Particles and Hamiltonian Euclidean norm, but for other purposes (for example, searching for the
Dynamics (Springer-Verlag, New York, 2003), Chaps. 21–25. reduced periodic solution) different metrics can be used.
5 30
T. W. B. Kibble and F. H. Berkshire, Classical Mechanics, 5th ed. The numerical precision e gives an upper bound of the error, which is
(Imperial College Press, London, 2004), Chap. 14. defined as the phase-space distance from the numerical value to the exact
6
F. Scheck, Classical Mechanics: Systems of Particles and Hamiltonian solution at each time step; we used e ¼ 1015 in our computations.
Dynamics, 4th ed. (Springer-Verlag, New York, 2005), Chap. 6. General (for example, Cauchy-Peano’s existence) theorems guarantee
7
J. M. Finn, Classical Mechanics (Infinity Science Press, Hingham, MA, the existence of an exact solution to the initial value problem (away
2008), Chap. 5.4. from the poles). See E. A. Coddington and N. Levinson, Theory of
8
James A. Blackburn, M. A. H. Nerenberg, and Y. Beaudoin, “Satellite Ordinary Differential Equations, (McGraw-Hill, New York, 1955),
motion in the vicinity of the triangular libration points,” Am. J. Phys. 45, Chaps. 1–2, or Gerald Teschl, Ordinary Differential Equations and
1077–1081 (1977). Dynamical Systems (Am. Math. Soc., Providence, 2012), Chaps.
9
Richard Greenberg and Donald R. Davis, “Stability at potential maxima: 2.2–2.5. Numerical analysis provides a piecewise-linear approximation
The L4 and L5 points of the restricted three-body problem,” Am. J. Phys. to this exact solution, the convergence of which depends on the approxi-
46, 1068–1070 (1978). mation method.
10
M. Suvakov and V. Dmitrasinović, “Three classes of Newtonian three- 31
T. Iwai, “A geometric setting for internal motions of the quantum three-
body planar periodic orbits,” Phys. Rev. Lett. 110, 114301 (2013). body system,” J. Math. Phys. 28, 964, 1315–1326 (1987).
11 32
E. H. Bruns, “Uber die Integrale des Vielk€ orper-Problems,” Acta Math. R. Montgomery, “The N-body problem, the braid group, and action-
11, 25–96 (1887). minimizing periodic solutions,” Nonlinearity 11, 363–376 (1998).
12 33
J. L. Lagrange, “Essai sur le problème des trois corps,” Oeuvres tome 6; The applet is available at <suki.ipb.ac.rs/3points/>.
Miscellanea Taurinensia 4, 118–243 (1772); J. L. Lagrange, Oeuvres, 2, 34
R. Montgomery, “The zero angular momentum, three-body problem: All
pp. 67–121; J. L. Lagrange, Mecanique Analytique, pp. 262–286; 2nd ed. but one solution has syzygies,” Ergodic Theor. Dyn. Syst. 27(6),
2, pp. 108–286; J. L. Lagrange, Oeuvres 12, pp. 101–114. 1933–1946 (2007).
13 35
Jean d’Alembert, in a paper of 1761 mentions that Euler had given a A “syzygy” is a collinear configuration, or equivalently a point on the
method for integrating a certain differential equation “in 1740 (seven equator of the shape sphere.
36
years before there was question of the Problem of Three Bodies).” See Carl Gustav Jacob Jacobi, Vorlesungen u€ber Dynamik, Gesammelte
d’Alembert, “Opuscules Mathematiques,” Vol. 2, Paris 1761, Werke, Vol. VIII, Supplement (1884); reprinted by (Chelsea Publishing
Quatorzieme Memoire (“Reflexions sur le Probleme des trois Corps, Company, New York, 1969), pp. 221–231.
37
avec de Nouvelles Tables de la Lune…”) pp. 329–312, at Sec. VI, p. L. A. Pars, Analytical Dynamics (Heinemann, London, 1965), Chap.
245. Euler’s original publication is probably L. Euler, Nov. Comm. XXIX.
38
Acad. Imp. Petropolitanae, 10, 207–242 ; L. Euler, ibid. 11, 152–184; A. Sommerfeld, Mechanik, 4th ed. (1949), Chap. 32. Translated into
Memoires de l’Acad. de Berlin, 11, 228–249. A more recent textbook English by Martin O. Stern and published as Mechanics (Academic Press,
dealing with Eulerian solutions is Ref. 37, albeit also without the original New York, 1952).
39
reference. E. T. Whittaker, A Treatise on the Analytical Dynamics of Particles and
14
R. Broucke and D. Boggs, “Periodic orbits in the planar general three- Rigid Bodies, with an Introduction to the Problem of Three Bodies, 4th ed.
body problem,” Celest. Mech. 11, 13–38 (1975). (Dover Publications, New York, 1937), Chap. 170.
15 40
J. D. Hadjidemetriou, “The continuation of periodic orbits from the re- Jan A. Snyman, Practical Mathematical Optimization: An Introduction to
stricted to the general three-body problem,” Celest. Mech. 12, 155–174 Basic Optimization Theory and Classical and New Gradient-Based
(1975). Algorithms (Springer, New York, 2005).
16 41
J. D. Hadjidemetriou and Th. Christides, “Families of periodic orbits in L. D. Landau and E. M. Lifshitz, Mechanics, 3rd ed. (Butterworth-
the planar three-body problem,” Celest. Mech. 12, 175–187 (1975). Heinemann, Oxford, 1976), Sec. 10.
17 42
J. D. Hadjidemetriou, “The stability of periodic orbits in the three-body Here the first mass is shifted into the position of the second, the second
problem,” Celest. Mech. 12, 255–276 (1975). into the third, and the third into the position of the first.
18 43
R. Broucke, “On relative periodic solutions of the planar general three- See supplementary material at http://dx.doi.org/10.1119/1.4867608 for
body problem,” Celest. Mech. 12, 439–462 (1975). <suki.ipb.ac.rs/3body/>, for Orbitopedia, <www.orbitopedia.org/>.
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141.218.1.105 On: Wed, 20 Aug 2014 21:46:26
44
Marija R. Janković and Milovan Suvakov, “Extension of the Broucke- subset fC; D; G; Hg and vice versa. We need to count the number of
Hadjidemetriou-Henon family of periodic orbits in the Newtonian planar equator-crossings, starting from the chosen beginning of the orbit and use
three-body problem,” manuscript in preparation. the parity of this number to determine which of these two subsets is the
45
We assume, without loss of generality, that the trajectory initially lies correct descriptor at any given time.
46
above the equator (see Fig. 11) and follows one of the upper directed Segment 2 does not correspond to the choice of the initial (Euler) configu-
semi-circles described by one of the caligraphic letters fA; B; E; F g. At ration made in Sec. III E. Rather the latter corresponds to segment 3.
each equator crossing the subset of caligraphic letters that describe the tra- Renumbering of particles is straightforward, but it would lead to unneces-
jectory changes from the “upper” subset fA; B; E; F g to the “lower” sary complications in the definition/application of the Jacobi vectors.
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