Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method

E. Sim

doi:10.1063/1.1394208

Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method

E. Sim

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

74 Citations (Scopus)

Abstract

The on-the-fly filtered propagator functional (OFPF) method is presented as an efficient scheme for iterative evaluation of the real-time path integral in quantum dissipative systems. Numerical tests indicate that this method allows iterative calculation of the quantum dynamics with full memory even if the latter spans many time steps. Overall, the method represents a significant improvement for studying energy relaxation and dephasing in slow solvents.

Original language	English
Pages (from-to)	4450-4456
Number of pages	7
Journal	Journal of Chemical Physics
Volume	115
Issue number	10
DOIs	https://doi.org/10.1063/1.1394208
Publication status	Published - 2001 Sep 8

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method

Abstract

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