Results 91 to 100 of about 692,789 (165)

Optical excitations of Si by time‐dependent density functional theory based on exact‐exchange Kohn–Sham band structure [PDF]

, 2002
Yong‐Hoon Kim, M. Städele, Andreas Görling   +2 more
openalex   +1 more source

Excitonic Optical Spectrum of Semiconductors Obtained by Time-Dependent Density-Functional Theory with the Exact-Exchange Kernel [PDF]

, 2002
Yong‐Hoon Kim, Andreas Görling
openalex   +1 more source

Multiphoton above-threshold detachment ofLi−:Exterior-complex-scaling– generalized-pseudospectral method for calculations of complex-quasienergy resonances in Floquet formulation of time-dependent density-functional theory [PDF]

, 2002
Dmitry A. Telnov, Shih‐I Chu
openalex   +1 more source

Exact relations of the quasienergy functional and the exchange-correlation potential from the Floquet formulation of time-dependent density functional theory

, 2000
Dmitry A. Telnov, Shih‐I Chu
openalex   +2 more sources

Time-dependent density functional theory treatment of the first UV absorption band in all-transoid permethyloligosilanes SinMe2n+2 (n = 2-8, 10) [PDF]

, 2003
David Rooklin, Thorsten Schepers, Mary K. Raymond-Johansson, Josef Michl   +3 more
openalex   +1 more source

Application of time-dependent density functional theory to electron-vibration coupling in benzene

, 2000
Amanda Schnell, G. F. Bertsch, Kazuhiro Yabana   +2 more
openalex   +2 more sources

Prediction of Two-Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-Functional Theory [PDF]

, 2003
Artëm E. Masunov, Sergei Tretiak
openalex   +1 more source

Time-Dependent Density-Functional Theory

, 2008
A. Castro
semanticscholar   +1 more source

Excitation energies from time-dependent density functional theory using exact and approximate functionals

, 2000
Martin Petersilka, E. K. U. Gross, Kieron Burke   +2 more
openalex   +2 more sources