Showing results (11-20 of 143) with videos related to
Sort By:
Pageof 15
Journal of Chemical Theory and Computation|October 5, 2018
Relaxing Constrained Amplitudes: Improved F12 Treatments of Orbital Optimization and Core-Valence Correlation EnergiesDavid P Tew, Daniel KatsThe Journal of Chemical Physics|January 26, 2010
Towards the Hartree-Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis setAndreas Köhn, David P TewThe Journal of Chemical Physics|October 19, 2005
New correlation factors for explicitly correlated electronic wave functionsDavid P Tew, Wim KlopperThe Journal of Physical Chemistry. A|December 16, 2016
Ab Initio Vibrational Spectroscopy of cis- and trans-Formic Acid from a Global Potential Energy SurfaceDavid P Tew, Wataru MizukamiThe Journal of Chemical Physics|September 13, 2006
A comparison of linear and nonlinear correlation factors for basis set limit Møller-Plesset second order binding energies and structures of He2, Be2, and Ne2David P Tew, Wim KlopperThe Journal of Chemical Physics|December 23, 2019
Efficient and accurate description of adsorption in zeolitesJiří Klimeš, David P TewThe Journal of Chemical Physics|April 7, 2026
Spin-free generalized normal ordered coupled clusterNicholas Lee, David P TewThe Journal of Chemical Physics|November 9, 2010
Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12)Andreas Köhn, David P TewJournal of Chemical Theory and Computation|December 1, 2018
Orbital-Optimized Distinguishable Cluster Theory with Explicit CorrelationDaniel Kats, David P TewThe Journal of Chemical Physics|December 11, 2013
A second-order multi-reference perturbation method for molecular vibrationsWataru Mizukami, David P TewPageof 15