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Updated: Jun 3, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Benchmark calculations for dissipative dynamics of a system coupled to an anharmonic bath with the multiconfiguration
S López-López1, R Martinazzo, M Nest
1Technische Universität München, Theoretische Chemie, Lichtenbergstr. 4, 85747 Garching, Germany.
Abstract:
In this paper, we present benchmark results for dissipative dynamics of a harmonic oscillator coupled to an anharmonic bath of Morse oscillators. The microscopic Hamiltonian has been chosen so that the anharmonicity can be adjusted as a free parameter, and its effect can be isolated. This leads to a temperature dependent spectral density of the bath, which is studied for ohmic and lorentzian cases. Also, we compare numerically exact multiconfiguration time-dependent Hartree results with approximate solutions using continuous configuration time-dependent self-consistent field and local coherent state approximation.
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