Results 271 to 280 of about 122,905 (293)

R12 methods in explicitly correlated molecular electronic structure theory

, 2006
W. Klopper, F. Manby, S. Ten-no, Edward F. Valeev   +3 more
semanticscholar   +1 more source

R12 Drainage

2012
openaire   +1 more source

R12 Drainage

2014
openaire   +1 more source

R12 Drainage

2011
openaire   +1 more source

r12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l

, 1985
W. Kutzelnigg
semanticscholar   +1 more source

Density fitting in second-order linear-r12 Møller–Plesset perturbation theory

, 2003
F. Manby
semanticscholar   +1 more source

R12-calibrated H2O-H2 interaction: full dimensional and vibrationally averaged potential energy surfaces.

Journal of Chemical Physics, 2008
P. Valiron, M. Wernli, A. Faure, L. Wiesenfeld, C. Rist, Stanislav Kedžuch, J. Noga   +6 more
semanticscholar   +1 more source

R12 Drainage Below Ground

2012
openaire   +1 more source

Improving on the resolution of the identity in linear R12 ab initio theories

, 2004
Edward F. Valeev
semanticscholar   +1 more source

Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.

Journal of Chemical Physics, 2008
Edward F. Valeev, T. Daniel Crawford
semanticscholar   +1 more source