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Biomedical subjects

Mohamad Toutounji

Publications and source records attributed to Mohamad Toutounji.

4 recordsLinked to original sources

Mixed quantum-classical description of spectroscopy of dissipative systems.

Mixed quantum-classical statistical mechanics is employed to calculate dipole moment correlation function and linear absorption spectra. A quantum two-level subsystem interacting with quantum vibrations (primary oscillators) which in turn are coupled to a classical bath composed of infinite set of harmonic oscillators is used as a dissipative system. Starting with mixed quantum-classical Liouville equation for the evaluation of the mixed quantum-classical dipole moment correlation function and using coherent states and the inverse of Baker-Campbell-Hausdorf formula to evaluate the trace over the primary oscillators, whereby, a closed analytical expression for the electronic dipole moment correlation function is obtained. Illustrations of several absorption spectra at different temperatures are provided. An approximate optical four-point correlation is obtained in the high temperature limit. A strategy for deriving an exact optical four-point correlation is suggested.

Chemistry↗

Mixed quantum-classical Redfield master equation.

Redfield master equation is derived from mixed quantum-classical Liouville equation using product initial conditions. Simple two-level system example is given and comparison with Fermi golden rule is made.

Algorithms↗

Optical nonlinear response function with linear and diagonal quadratic electron-vibration coupling in mixed quantum-classical systems.

While an optical linear response function of linearly and quadratically coupled mixed quantum-classical condensed-phase systems was derived by Toutounji [J. Chem. Phys. 121, 2228 (2004)], the corresponding analytical optical line shape is derived. The respective nonlinear correlation functions are also derived. Model calculations involving photon-echo, pump-probe, and hole-burning signals of model systems with both linear and quadratic coupling are provided. Hole-burning formula of Hayes-Small is compared to that of Mukamel in mixed quantum-classical systems.

Journal Article↗

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.

Journal Article↗