Y. Suzuki et Y. Tanimura, Optimized perturbation approach with a Legendre transformation to a dissipative system: Correlation functions of a Morse oscillator, PHYS REV E, 59(2), 1999, pp. 1475-1488
We apply the optimized perturbation theory (OPT) to study the dynamics of a
dimer molecule system in condensed phases described by a Morse potential s
ystem coupled to a heat bath. The OPT combines the techniques based on the
variational principle and the perturbative expansion. The first-order appro
ximation of the OPT agrees with Feynman's variational theory developed for
the polaron problem [Statistical Mechanics: A Set of Lectures (Benjamin, Lo
ndon, 1972)]. The OPT makes it possible to deal with an anharmonic potentia
l system in a nonperturbative way. Combined with the inversion method, whic
h is a technique to carry out the Legendre transformation, we take into acc
ount the ansymmetry of the potential effectively. We then calculate the abs
orption spectrum of the molecule system, which relates to a two-time correl
ation function of a nuclear coordinate.