Toward spin-orbit coupled diabatic potential energy surfaces for methyl iodide using effective relativistic coupling by asymptotic representation.
about
Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces.Development of multi-mode diabatic spin-orbit models at arbitrary order.Vibronic eigenstates and the geometric phase effect in the 2E″ state of NO3.A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz.A diabatization protocol that includes spin-orbit coupling.
P2860
Toward spin-orbit coupled diabatic potential energy surfaces for methyl iodide using effective relativistic coupling by asymptotic representation.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年学术文章
@wuu
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
@yue
2013年學術文章
@zh
2013年學術文章
@zh-hant
name
Toward spin-orbit coupled diab ...... by asymptotic representation.
@en
Toward spin-orbit coupled diab ...... by asymptotic representation.
@nl
type
label
Toward spin-orbit coupled diab ...... by asymptotic representation.
@en
Toward spin-orbit coupled diab ...... by asymptotic representation.
@nl
prefLabel
Toward spin-orbit coupled diab ...... by asymptotic representation.
@en
Toward spin-orbit coupled diab ...... by asymptotic representation.
@nl
P356
P1476
Toward spin-orbit coupled diab ...... by asymptotic representation.
@en
P2093
Hameth Ndome
Nils Wittenbrink
P304
P356
10.1021/JP401438X
P407
P577
2013-05-10T00:00:00Z