Exact analytical expressions and numerical analysis of two-center Franck–Condon factors and matrix elements over displaced harmonic oscillator wave functions

2006 ◽  
Vol 175 (3) ◽  
pp. 226-231 ◽  
Author(s):  
I.I. Guseinov ◽  
B.A. Mamedov ◽  
A.S. Ekenoğlu
Keyword(s):  
Numerical Analysis ◽  
Harmonic Oscillator ◽  
Wave Functions ◽  
Matrix Elements ◽  
Condon Factors ◽  
Franck Condon ◽  
Analytical Expressions

Properties of the Quantum Double Oscillator

1975 ◽  
Vol 30 (12) ◽  
pp. 1730-1741 ◽  
Author(s):  
Jürgen Brickmann
Keyword(s):  
Harmonic Oscillator ◽  
Large Class ◽  
Electronic Transitions ◽  
Matrix Elements ◽  
Quantum Double ◽  
The Matrix ◽  
Analytic Expressions ◽  
Condon Factors ◽  
Finite Sums ◽  
Franck Condon

Abstract A formalism is presented to obtain approximate analytic expressions for the eigenstates and eigenvalues of a quantum double oscillator (QDO). The matrix elements of a large class of operators with respect to states of different double oscillators result as finite sums of explicit functions of the respective parameters. Matrix elements between states of a harmonic oscillator and a double oscillator are also determined. The analytic expressions were used to calculate Franck-Condon factors for electronic transitions including double oscillator anharmonicities.

scholarly journals Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules

2006 ◽  
Vol 125 (1) ◽  
pp. 014109 ◽  
Author(s):  
Valerie Rodriguez-Garcia ◽  
Kiyoshi Yagi ◽  
Kimihiko Hirao ◽  
Suehiro Iwata ◽  
So Hirata
Keyword(s):  
Polyatomic Molecules ◽  
Wave Functions ◽  
Condon Factors ◽  
Franck Condon

Periodicity of the Oscillatory J Dependence of Diatomic Molecule Franck–Condon Factors

1975 ◽  
Vol 53 (16) ◽  
pp. 1560-1572 ◽  
Author(s):  
Robert J. Le Roy ◽  
Edward R. Vrscay
Keyword(s):  
Simple Formula ◽  
Radial Wave Function ◽  
Wave Functions ◽  
Final States ◽  
Rotational Constants ◽  
Radial Wave ◽  
Condon Factors ◽  
Oscillating Functions ◽  
Vibration Rotation ◽  
Franck Condon

Numerical calculations have shown that vibration–rotation interaction often contributes significantly to the J dependence of transition intensities of diatomic molecules. This occurs because centrifugal displacements of the vibrational wave functions cause the Franck–Condon amplitudes (radial overlap integrals) to behave as oscillating functions of J(J + 1). The present paper discusses the origin of this behavior and derives and tests a simple formula for predicting the periodicity of such oscillations. This procedure requires only a knowledge of the rotational constants and vibrational spacings of the initial and final states. It utilizes the result that the average centrifugal displacement rate of a diatomic molecule's radial wave function is approximately [Formula: see text], where Bν and Dν are the usual diatomic rotational constants.

A REALIZATION OF DYNAMIC GROUP FOR AN ELECTRON IN A UNIFORM MAGNETIC FIELD

2002 ◽  
Vol 11 (04) ◽  
pp. 265-271 ◽  
Author(s):  
SHISHAN DONG ◽  
SHI-HAI DONG
Keyword(s):  
Magnetic Field ◽  
Relativistic Electron ◽  
Uniform Magnetic Field ◽  
Wave Functions ◽  
Matrix Elements ◽  
Eigenvalues And Eigenfunctions ◽  
Radial Wave ◽  
Creation And Annihilation Operators ◽  
The Matrix ◽  
Analytical Expressions

The eigenvalues and eigenfunctions of the Schrödinger equation with a non-relativistic electron in a uniform magnetic field are presented. A realization of the creation and annihilation operators for the radial wave-functions is carried out. It is shown that these operators satisfy the commutation relations of an SU(1,1) group. Closed analytical expressions are evaluated for the matrix elements of different functions ρ2 and [Formula: see text].

Sign in / Sign up

Export Citation Format

Share Document