Chapter 14: One- and Two-Photon Electronic Spectroscopy

Resonance Raman intersites calculated via the Fourier transform of wavepacket cross-correlation functions.
The resonance Raman intensity The Actual Formul is calculated as the absolute value squared of the Half-Fourier transform of the cross-correlation function, The Actual Formul at frequency The Actual Formul
The Actual Formul where the polarizability α a is given by:
The Actual Formul Here, The Actual Formul is the incident light frequency, The Actual Formul is the scattered light frequency, and k is a constant. The program calculates the cross-correlation functions and resonance Raman spectrum for transitions 0 → n, where the ground and excited state potentials are harmonic oscillators and 0 and n are the ground state vibrational quantum numbers.
A. Time evolution of Gaussian wavepacket The Actual Formul The Actual Formul
(Animation) A.
B. Eigenfunctions of the harmonic oscillator
The Actual Formul
(IMG) B.
C. Cross corellation functions - numerical
The Actual Formul
(IMG) C.
D. Resonans Raman itensities The Actual Formul
(IMG) D.
E. Total Spectrum
The Actual Formul
(IMG) E.
F. Cross corellation functions - analytical
The Actual Formul (IMG) F.