Results 261 to 265 of about 241,907 (265)

Density functional theory

Coordination Chemistry Reviews, 1998
Henry Chermette
exaly  

Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies

Journal of Chemical Physics, 2005
Martin Schutz
exaly  

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

Journal of Chemical Physics, 1999
Redfern Paul C, Raghavachari Krishnan, Curtiss Larry A   +2 more
exaly  

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

Journal of Chemical Physics, 2001
Nayak S, Scoles G
exaly  

Wave-Function Theory and Density-Functional Theory

openaire   +1 more source