TY - JOUR
T1 - Time-dependent electron localization function
AU - Burnus, T.
AU - Marques, M. A.L.
AU - Gross, E. K.U.
PY - 2005/1/1
Y1 - 2005/1/1
N2 - We present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time-resolved observation of the formation, the modulation, and the breaking of chemical bonds, and can thus provide a visual understanding of complex reactions involving the dynamics of excited electrons. We illustrate the usefulness of the time-dependent ELF by two examples: the π-π* transition induced by a laser field, and the destruction of bonds and formation of lone pairs in a scattering process.
AB - We present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time-resolved observation of the formation, the modulation, and the breaking of chemical bonds, and can thus provide a visual understanding of complex reactions involving the dynamics of excited electrons. We illustrate the usefulness of the time-dependent ELF by two examples: the π-π* transition induced by a laser field, and the destruction of bonds and formation of lone pairs in a scattering process.
UR - http://www.scopus.com/inward/record.url?scp=18444395863&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.71.010501
DO - 10.1103/PhysRevA.71.010501
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:18444395863
SN - 1050-2947
VL - 71
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 1
M1 - 010501
ER -