Showing results (101-110 of 7,346) with videos related to
Sort By:
Pageof 735
The Journal of Chemical Physics|June 20, 2023
Repartitioned Brillouin-Wigner perturbation theory with a size-consistent second-order correlation energyKevin Carter-Fenk, Martin Head-GordonJournal of the American Chemical Society|March 5, 2008
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: oxidation state dependent plasticity and the formation of a singlet diradicaloidYoung Min Rhee, Martin Head-GordonThe Journal of Chemical Physics|March 5, 2008
Systematic optimization of long-range corrected hybrid density functionalsJeng-Da Chai, Martin Head-GordonThe Journal of Physical Chemistry. A|February 12, 2008
A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integralsAnthony D Dutoi, Martin Head-GordonThe Journal of Chemical Physics|September 25, 2012
A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breakingDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|October 5, 2010
A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles modelsJohn A Parkhill, Martin Head-GordonThe Journal of Chemical Physics|June 1, 2015
Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactionsRichard Julian Azar, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|November 8, 2008
Long-range corrected hybrid density functionals with damped atom-atom dispersion correctionsJeng-Da Chai, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|August 19, 2011
Post-modern valence bond theory for strongly correlated electron spinsDavid W Small, Martin Head-GordonThe Journal of Chemical Physics|August 3, 2014
Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlationNicholas J Mayhall, Martin Head-GordonPageof 735