.

Quantum
Personal
Used
Only
.
Theory :
Techniques & Applications
Vibrational Motion

Achmad Rochliadi, Ph.D.

Program Studi Kimia

Institut Teknologi Bandung

Vibrational motion
A particle will have harmonic motion if the restoring force
is propotional to its displacement.
Relation with potential energy is,

. Personal Used Only .

Giving,

The Schrodinger equation for the particles,

The energy level

Boundary condition, allowed solution are for those:
The permitted energy are :

. Personal Used Only .

Energy different between two level are

Zero point energy of harmonic oscillator

Energy of harmonic oscilator

. Personal Used Only .

The energy levels of a
harmonic oscillator are
evenly spaced with
separation. Even in its
lowest state, an
oscillator has an energy
greater than zero.

The wave function

Particle having harmonic motion is trapped in a
symmetrical well with the energy climb as x2.
Its follow a Gausian function.

. Personal Used Only .

The form of the wave function

A solution to the Schrodinger equation of the harmonic
oscilation will have the form of

The precise form of the wavefuncions are

. Personal Used Only .

With
is a Hermite polynomial.
See Followin table

Hermite polynomials

. Personal Used Only .

The wave function for the ground state

For the ground state, the lowest energy state, the wave
function is

The probability density is

. Personal Used Only .

The wavefunction for the first exited state

The wave function for the ground state

. Personal Used Only .

Wavefunction and
probability distribution for
ground state

Wavefunction and
probability distribution for 1st
exited state
9

The wave function for the ground state

. Personal Used Only .

Probability distribution for
the first 5 states up to 20th
Wavefunction for the 5 first
states
10

. Personal Used Only .

Thank You

Lecture Outline
The structure & spectra of hydrogenic atoms

The structure of hydrogenic atoms

Atomic orbital and their energies
Spectroscopic transitions and selection rules

The structures of many-electron atoms

. Personal Used Only .

The orbital approximation

Self-consistent field orbital

The spectra of complex atoms

Impact on astrophysics : Spectroscopy of star

Quantum defects & ionization limits
Singlet and triplet coupling
Spin-orbit coupling
Term symbol and selection rules
12

Role of quantum mechanics in hidrogen like atom

Quantum mechanics is used to describe :

Electronic structure of atom

Arrangement of electron around nucleus

Types of atom :

. Personal Used Only .

Hydrogenic atom : one-electron atom or ion, H, He+, Li+, O7+

Many-electron atom (polyelectronic atom), all neutral atom
other than H

Schrodinger equation can be solved exactly for

hydrogenic atoms

13

Lecture Outline
Lorem ipsum dolor sit amet, consectetuer adipiscing elit.
Nunc pulvinar est sed velit.
Sed ac nulla dignissim lectus semper laoreet.
Vestibulum rutrum interdum quam.
Nunc ullamcorper hendrerit justo.

. Personal Used Only .

14

Topic 1
Mauris ut ante nec augue posuere lobortis.
Cras facilisis aliquam mauris.
Aenean varius nisi ut urna.
Quisque volutpat dignissim sem.
Curabitur nec dui ut nisi pulvinar hendrerit.
In dapibus justo in elit.
Nulla sit amet felis a tellus vulputate vehicula.

. Personal Used Only .

15

Simple harmonic oscilation

. Personal Used Only .

16