2008/02/29 by Z. Ma, D. F. Coker · 20 citations
Physics and Astronomy · #Cold Atom Physics and Bose-Einstein Condensates #Density matrix #Dephasing #Initial value problem #Krypton #Matrix (chemical analysis) #Operator (biology) #Quantum #Quantum, superfluid, helium dynamics #Sampling (signal processing) #Spectroscopy and Quantum Chemical Studies #physics.chem-ph #physics.comp-ph
paper · pdf · doi:10.1063/1.2944270
published in The Journal of Chemical Physics 128(24), 244108 (American Institute of Physics) · 20 pages and 8 figures
arxiv created 2008/04/25 · openalex publication_date 2008/06/25 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
This paper reviews the linearized path integral approach for computing time dependent properties of systems that can be approximated using a mixed quantum-classical description. This approach is applied to studying vibrational pure dephasing of ground state molecular iodine in a rare gas matrix. The Feynman-Kleinert optimized harmonic approximation for the full system density operator is used to sample initial conditions for the bath degrees of freedom. This extremely efficient approach is compared to alternative initial condition sampling techniques at low temperatures where classical initial condition sampling yields dephasing rates that are nearly an order of magnitude too slow compared to quantum initial condition sampling and experimental results.