1.
Phys Rev Lett
; 132(10): 100403, 2024 Mar 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38518302
RESUMO
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.