Results 231 to 240 of about 156,250 (254)

Time-Dependent Density-Functional Theory for Superconductors

Physical Review Letters, 1994
, Wacker, , Kümmel, , Gross
openaire   +2 more sources

An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

Journal of Chemical Physics, 1998
Gustavo E Scuseria, Scuseria Gustavo E
exaly  

Time-dependent density functional theory for molecules in liquid solutions

Journal of Chemical Physics, 2001
Maurizio Cossi, Vincenzo Barone, Cossi Maurizio   +2 more
exaly  

Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model

Journal of Chemical Physics, 2006
Giovanni Scalmani, Michael J Frisch, Benedetta Mennucci   +2 more
exaly  

Time-dependent density-functional theory for multicomponent systems

Physical Review A, 1986
, Li, , Tong
openaire   +2 more sources

Perspective: Fundamental aspects of time-dependent density functional theory

Journal of Chemical Physics, 2016
Neepa T Maitra, Maitra Neepa T
exaly  

Time-dependent density functional theory: Past, present, and future

Journal of Chemical Physics, 2005
Kieron Burke, E K U Gross, Burke Kieron   +2 more
exaly  

Time-dependent density functional theory based on a noncollinear formulation of the exchange-correlation potential

Journal of Chemical Physics, 2004
Fan Wang, Ziegler Tom
exaly  

A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution

Journal of Chemical Physics, 2006
Roberto Improta, Vincenzo Barone, Giovanni Scalmani   +2 more
exaly  

Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach

Journal of Chemical Physics, 2007
Roberto Improta, Giovanni Scalmani, Michael J Frisch   +2 more
exaly