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The Journal of Chemical Physics|January 22, 2008
The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfacesJoseph E Subotnik, Alex Sodt, Martin Head-GordonJournal of Chemical Theory and Computation|November 19, 2015
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong CorrelationsNicholas J Mayhall, Matthew Goldey, Martin Head-GordonJournal of Chemical Theory and Computation|December 3, 2015
Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation TheoryRohini C Lochan, Yihan Shao, Martin Head-GordonThe Journal of Chemical Physics|December 3, 2008
Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition statesAnthony Goodrow, Alexis T Bell, Martin Head-GordonThe Journal of Chemical Physics|March 5, 2009
The perfect quadruples model for electron correlation in a valence active spaceJohn A Parkhill, Keith Lawler, Martin Head-GordonThe Journal of Chemical Physics|February 20, 2021
Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systemsDiptarka Hait, Yu Hsuan Liang, Martin Head-GordonThe Journal of Chemical Physics|May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsityHenryk Laqua, Linus Bjarne Dittmer, Martin Head-GordonThe Journal of Chemical Physics|November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approachSrimukh Prasad Veccham, Joonho Lee, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|August 6, 2016
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitalsPaul R Horn, Yuezhi Mao, Martin Head-GordonThe Journal of Chemical Physics|September 1, 2006
A near linear-scaling smooth local coupled cluster algorithm for electronic structureJoseph E Subotnik, Alex Sodt, Martin Head-GordonPageof 45