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Michael Herman, Professor
Ph.D., 1980, Chicago
Office: 5010 Percival Stern Building
Telephone: (504) 862-3582
Email: mherman@tulane.edu
Discipline:
Physical Chemistry
Areas of current interest include:
My research program focuses on two main topics in theoretical chemistry. The first research area involves the development and testing of semiclassical approximations for the quantum evolution of complex systems. Semiclassical methods, which utilize information from classical trajectories to obtain approximate quantum mechanical energies, wavefunctions, transition probabilities, etc., provide computationally very useful procedures for calculations involving the motion of atomic and molecular systems.
The second area investigates the manner in which solvents influence the vibrational frequencies and population relaxation in liquids and dense gases. These interactions are important because, for instance, the equilibration of vibrational populations plays a significant role in determining the response of condensed phase systems to external perturbations.
Selected Publications
MF Herman, F Ding,
On the importance of the classically forbidden region in calculations of the relaxation rate for high-frequency vibrations: A model calculation,
Journal of Physical Chemistry A, 111 (41), pp. 10186-10190 (2007).
Y Wu, MF Herman, On the properties of a primitive semiclassical surface hopping propagator for nonadiabatic quantum dynamics,
Journal of Chemical Physics, 127 (4), art. no. 044109 (2007).
MF Herman, A Sergeev,
Using an r -dependent Gaussian width in calculations of the globally uniform semiclassical wave function, Journal of Chemical Physics, 126 (3), art. no. 034104 (2007).
Y Wu, MF Herman, A justification for a nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation of the time evolution operator, Journal of Chemical Physics, 125 (15), art. no. 154116, (2006).
A Sergeev, MF Herman, An analysis of the accuracy of an initial value representation surface hopping wave function in the interaction and asymptotic regions,
Journal of Chemical Physics, 125 (2), art. no. 024107, (2006).
MF Herman,
Toward an accurate and efficient semiclassical surface hopping procedure for nonadiabatic problems, Journal of Physical Chemistry A, 109 (41), pp. 9196-9205 (2005).
Y Wu, MF Herman,
Nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation method revisited: Applications to Tully's three model systems, Journal of Chemical Physics, 123 (14), art. no. 144106, pp. 1-11 (2005).
MF Herman, MP Moody,
Numerical study of the accuracy and efficiency of various approaches for Monte Carlo surface hopping calculations, Journal of Chemical Physics, 122 (9), pp. 1-9 (2005).
Y Wu, MF Herman, VS Batista,
Matching-pursuitsplit-operator Fourier-transform simulations of nonadiabatic quantum dynamics, Journal of Chemical Physics, 122 (11), pp. 1-8 (2005).
MF Herman, O El Akramine, MP Moody, M.P., Globally uniform semiclassical surface-hopping wave function for nonadiabatic scattering,Journal of Chemical Physics, 120 (16), pp. 7383-7390 (2004).
MH Herman, Q El Akramine, and MP Moody, Globally Uniform Semiclassical Surface-Hopping Wave Function for Nonadiabatic Scattering, J. Chem. Phys., 120, 7383-7390 (2004).
MP Moody, F. Ding and MH Herman, Phase Corrected Higher-Order Expression for Surface Hopping Transition Amplitudes in Nonadiabatic Scattering Problems, J. Chem. Phys., 19, 11098-11057 (2003).
F Grossman and MF Herman, Comment on Semiclassical Approximations in Phase Space with Coherent States, J. Phys. A. 35, 9489 (2002).
MF Herman, Comparison of Semiclassical Methods for Time-Dependent Density Evolution for a Two State Model Problem, (Elsevier) Chem. Phys. 273, 175-189 (2001).
MF Herman, A Length Scale Dependent Model for Stress Relaxation in
Polymer Melts, Macromolecules, 34, 9489 (2001).
G. Yang and MF Herman, Semiclassical Surface Hopping H-K Propagator: Application to Two Dimensional, Two Surface Problems, J. Phys. Chem. B, 105, 6562 (2001).
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