Výsledky vyhledávání - "Kevin Lively"

Akademický článek

Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies

Autor: Kevin Lively, Shunsuke A. Sato, Guillermo Albareda, Angel Rubio, Aaron Kelly

Publikováno v: Physical Review Research, Vol 6, Iss 1, p 013069 (2024)

Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evinced by phenomena such as strongly driven phase transitions and light

Externí odkaz: https://doaj.org/article/025d37f7ac4947968fc5df6d24fe9091

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Simulating Vibronic Spectra without Born–Oppenheimer Surfaces

Autor: Aaron Kelly, Angel Rubio, Shunsuke A. Sato, Kevin Lively, Guillermo Albareda

Publikováno v: The Journal of Physical Chemistry Letters
Addi: Archivo Digital para la Docencia y la Investigación
Universidad del País Vasco
Addi. Archivo Digital para la Docencia y la Investigación
instname

We show how linear vibronic spectra in molecular systems can be simulated efficiently using first-principles approaches without relying on the explicit use of multiple Born-Oppenheimer potential energy surfaces. We demonstrate and analyze the perform

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bbb45fbc74c5b0242dee0e924fecebec
https://tsukuba.repo.nii.ac.jp/records/2004012

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Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping

Autor: Kevin Lively, Samuele Giannini, Soumya Ghosh, Jochen Blumberger

Publikováno v: Faraday Discussions

Investigation of many electronic processes in molecules and materials, such as charge and exciton transport, requires a computational framework that incorporates both non-adiabatic electronic effects and nuclear quantum effects, in particular at low

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1746755615cb9297ba4d6c6bf4811ae2
https://doi.org/10.1039/c9fd00046a

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Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics

Autor: Guillermo Albareda, Shunsuke A. Sato, Aaron Kelly, Angel Rubio, Kevin Lively

Publikováno v: Journal of Chemical Theory and Computation
Addi. Archivo Digital para la Docencia y la Investigación
instname

[EN] We demonstrate that a conditional wave function theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body wave funct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01c05c94a1eab7095e194d30f4ed7adc
https://pubmed.ncbi.nlm.nih.gov/34752108

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