Results 301 to 310 of about 10,400,724 (310)

Fisher information in density functional theory

Journal of Chemical Physics, 2003
Agnes Nagy
exaly  

Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model

Journal of Chemical Physics, 2001
Hans Peter Luethi, Seiji Tsuzuki
exaly  

A density functional theory based on the universality of the free energy density functional

Journal of Chemical Physics, 2000
Eli Ruckenstein, Shiqi Zhou
exaly  

Towards extending the applicability of density functional theory to weakly bound systems

Journal of Chemical Physics, 2001
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  

A new inhomogeneity parameter in density-functional theory

Journal of Chemical Physics, 1998
exaly  

Density Functional Theory

1990
Reiner M. Dreizler, Eberhard K. U. Gross
openaire   +1 more source

Density functional theory

Coordination Chemistry Reviews, 1998
openaire   +1 more source

Gaussian-3 theory using density functional geometries and zero-point energies

Journal of Chemical Physics, 1999
exaly  

Density Functional Theory

2008
openaire   +1 more source