Results 251 to 258 of about 124,317 (258)

Real time propagation of the exact two component time-dependent density functional theory

Journal of Chemical Physics, 2016
Xiaosong Li, Joshua Goings, Joseph Kasper   +2 more
exaly  

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

Journal of Chemical Physics, 2008
Walter Thiel, Stephan P A Sauer, Sauer Stephan P A   +2 more
exaly  

Time-dependent density-functional theory in the projector augmented-wave method

Journal of Chemical Physics, 2008
Jens Jørgen Mortensen, Michael Walter, Jussi Enkovaara   +2 more
exaly  

Couplings between electronic transitions in a subsystem formulation of time-dependent density functional theory

Journal of Chemical Physics, 2007
Johannes Neugebauer, Neugebauer Johannes   +1 more
exaly  

Propagator corrections to adiabatic time-dependent density-functional theory linear response theory

Journal of Chemical Physics, 2005
Mark E Casida, Casida Mark E
exaly  

A long-range-corrected time-dependent density functional theory

Journal of Chemical Physics, 2004
Takao Tsuneda, Susumu Yanagisawa, Kimihiko Hirao   +2 more
exaly  

Time-Dependent Density Functional Theory

2006
openaire   +1 more source

Real-time time-dependent density functional theory approach for frequency-dependent nonlinear optical response in photonic molecules

Journal of Chemical Physics, 2007
John Rehr
exaly