Conducting precise electronic-vibrational dynamics simulations of molecular systems poses significant challenges when dealing with realistic environments composed of numerous vibrational modes. Here, we introduce a technique for the construction of effective phonon spectral densities that capture accurately open-system dynamics over a finite time interval of interest. When combined with existing nonperturbative simulation tools, our approach can reduce significantly the computational costs associated with many-body open-system dynamics.
Systematic Coarse Graining of Environments for the Nonperturbative Simulation of Open Quantum Systems / N. Lorenzoni, N. Cho, J. Lim, D. Tamascelli, S.F. Huelga, M.B. Plenio. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 132:10(2024 Mar 08), pp. 100403.1-100403.7. [10.1103/physrevlett.132.100403]
Systematic Coarse Graining of Environments for the Nonperturbative Simulation of Open Quantum Systems
D. Tamascelli
;
2024
Abstract
Conducting precise electronic-vibrational dynamics simulations of molecular systems poses significant challenges when dealing with realistic environments composed of numerous vibrational modes. Here, we introduce a technique for the construction of effective phonon spectral densities that capture accurately open-system dynamics over a finite time interval of interest. When combined with existing nonperturbative simulation tools, our approach can reduce significantly the computational costs associated with many-body open-system dynamics.File | Dimensione | Formato | |
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