TCB Publications - Abstract

Robert Bittl and Klaus Schulten. A static ensemble approximation for stochastically modulated quantum systems. Journal of Chemical Physics, 90:1794-1803, 1989.

BITT89 A short-time approximation for the evolution of quantum systems governed by a Hamiltonian with stochastic time dependence is derived. The evolution operator of the system is replaced by an ensemble of evolution operators with time-independent Hamiltonians, weighted by a distribution function related to the "line shape function" of a randomly modulated harmonic oscillator. The approximation conserves the trace of the density matrix and converges to the exact solution in the case of very slow and in the case of very rapid stochastic modulation. The approximation is applied to hyperfine-induced singlet-triplet transitions of a biradical-like system with fluctuating exchange interaction.

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