Results 281 to 290 of about 24,701,591 (295)

Perspective: Fundamental aspects of time-dependent density functional theory

Journal of Chemical Physics, 2016
Neepa Maitra
exaly  

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

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

Time-dependent density functional theory

2019
Aurel Bulgac, Michael McNeil Forbes
openaire   +1 more source

Time-dependent density functional theory as a thermodynamics

Computational and Theoretical Chemistry, 2010
Agnes Nagy
exaly  

Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory

Journal of Chemical Physics, 2006
Stefano Corni, Marco Caricato, Benedetta Mennucci   +2 more
exaly  

Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

Proceedings of the National Academy of Sciences of the United States of America, 2015
Michael Ruggenthaler, Johannes Flick, Angel Rubio   +2 more
exaly  

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

Journal of Chemical Physics, 1998
exaly  

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

Journal of Chemical Physics, 2004
Fan Wang
exaly  

A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

Molecular Physics, 2010
Yihan Shao, Bernard Brooks, Martin Head-Gordon   +2 more
exaly  

Carsten A. Ullrich—Time-Dependent Density-Functional Theory: Concepts and Applications

Brazilian Journal of Physics, 2014
Rodrigo Capaz
exaly