TY - JOUR
T1 - Semiclassical influence functionals for quantum systems in anharmonic environments
AU - Makri, Nancy
AU - Thompson, Keiran
N1 - Funding Information:
This work has been supported by the David and Lucile Packard Foundation through a Packard Fellowship for Science and Engineering. NM also acknowledges funding through a National Science Foundation Young Investigator Award, a Sloan Research Fellowship, a Cottrell Scholar Award and a Camille Dreyfus Teacher-Scholar Award.
PY - 1998/7/10
Y1 - 1998/7/10
N2 - A rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath.
AB - A rigorous semiclassical methodology for calculating influence functionals arising from polyatomic anharmonic environments is presented. Integration of each trajectory forward and backward in time reduces the severity of the oscillations in the semiclassical propagator, namely those originating from the dynamics of the isolated environment, and leads to a convenient coherent state initial value representation which is amenable to Monte Carlo sampling. The advantages of this formulation are illustrated through an example employing a harmonic oscillator bath.
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U2 - 10.1016/S0009-2614(98)00590-9
DO - 10.1016/S0009-2614(98)00590-9
M3 - Article
AN - SCOPUS:0032503752
SN - 0009-2614
VL - 291
SP - 101
EP - 109
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -