Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Ningyi Lyu"'
Autor:
Yuchen Wang, Ellen Mulvihill, Zixuan Hu, Ningyi Lyu, Saurabh Shivpuje, Yudan Liu, Micheline B. Soley, Eitan Geva, Victor S. Batista, Sabre Kais
Publikováno v:
Journal of Chemical Theory and Computation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::501ff755a318deb53caa5fa995984239
https://doi.org/10.1021/acs.jctc.3c00316
https://doi.org/10.1021/acs.jctc.3c00316
The generalized quantum master equation (GQME) approach provides a rigorous framework for deriving the exact equation of motion for any subset of electronic reduced density matrix elements (e.g., the diagonal elements). In the context of electronic d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b66488bfee384c190deb5adfb85d928
http://arxiv.org/abs/2208.14273
http://arxiv.org/abs/2208.14273
Publikováno v:
Journal of chemical theory and computation. 18(6)
Numerically exact simulations of quantum reaction dynamics, including non-adiabatic effects in excited electronic states, are essential to gain fundamental insights into ultrafast chemical reactivity and rigorous interpretations of molecular spectros
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e0c6b4ed13108c0b0610d29101f06769
https://pubmed.ncbi.nlm.nih.gov/35649210
https://pubmed.ncbi.nlm.nih.gov/35649210