Optical linear response function with linear and diagonal quadratic electron-vibration coupling in mixed quantum-classical systems.
Optical linear response function of linearly and quadratically coupled mixed quantum-classical condensed phase systems is derived. The linear response function is derived using Kapral's formalism of statistical mechanics in mixed quantum-classical systems. Our mixed quantum-classical linear dipole moment correlation function J(t) is compared with the full quantum J(t) [Y. J. Yan and S. Mukamel, J. Chem. Phys. 85, 5908 (1986)] in the high temperature limit. Model calculations and discussion of our results are presented. Various formulas of Franck-Condon factors for both linear and quadratic coupling are discussed.
Toutounji
Mohamad
M
Department of Chemistry, College of Science, United Arab Emirates University, PO Box 17551, Al-Ain.