Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Jonathan H. Fetherolf"'
Publikováno v:
Physical Review B. 107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::26a42ff6949b74ceb1ef9c495565eeeb
https://doi.org/10.1103/physrevb.107.064304
https://doi.org/10.1103/physrevb.107.064304
Publikováno v:
Physical Review X, Vol 10, Iss 2, p 021062 (2020)
We present a unified and nonperturbative method for calculating spectral and transport properties of Hamiltonians with simultaneous Holstein (diagonal) and Peierls (off-diagonal) electron-phonon coupling. Our approach is motivated by the separation o
Externí odkaz:
https://doaj.org/article/012c2e9600c34444a12fb1cc58c11577
Publikováno v:
The journal of physical chemistry letters. 13(24)
Nuclear quantum effects such as zero-point energy are important in a wide range of chemical and biological processes. The nuclear-electronic orbital (NEO) framework intrinsically includes such effects by treating electrons and specified nuclei quantu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::814a2ac59c2269f01045d70e3aa779d7
https://pubmed.ncbi.nlm.nih.gov/35696537
https://pubmed.ncbi.nlm.nih.gov/35696537
Publikováno v:
Physical Review X, Vol 10, Iss 2, p 021062 (2020)
We present a unified and nonperturbative method for calculating spectral and transport properties of Hamiltonians with simultaneous Holstein (diagonal) and Peierls (off-diagonal) electron-phonon coupling. Our approach is motivated by the separation o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::18f83f0721b3115fdc01e16e20e91d52
Publikováno v:
J Chem Phys
We introduce vibrational heat-bath configuration interaction (VHCI) as an accurate and efficient method for calculating vibrational eigenstates of anharmonic systems. Inspired by its origin in electronic structure theory, VHCI is a selected CI approa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42cdc71677c041eb6954214c9ab41bfc
https://doi.org/10.1063/5.0035454
https://doi.org/10.1063/5.0035454
We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that, even for systems with non-adiabatic coupling, th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ade0e00931263dd7815b1677e0d398dc
Publikováno v:
Journal of Chemical Physics; 2/21/2021, Vol. 154 Issue 7, p1-11, 11p
Publikováno v:
Journal of Chemical Physics; 12/28/2017, Vol. 147 Issue 24, p1-9, 9p, 6 Graphs