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Martin Head-Gordon

Showing results (131-140 of 438) with videos related to

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The Journal of Chemical Physics|May 2, 2008
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interactionDavid Casanova, Young Min Rhee, Martin Head-Gordon
The Journal of Chemical Physics|December 12, 2019
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole statesJoonho Lee, David W Small, Martin Head-Gordon
Journal of the American Chemical Society|November 22, 2014
Hydrogen physisorption on metal-organic framework linkers and metalated linkers: a computational study of the factors that control binding strengthEhud Tsivion, Jeffrey R Long, Martin Head-Gordon
The Journal of Chemical Physics|May 23, 2016
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theoryJonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|February 9, 2017
Energy decomposition analysis in an adiabatic pictureYuezhi Mao, Paul R Horn, Martin Head-Gordon
The Journal of Chemical Physics|April 26, 2011
The formulation and performance of a perturbative correction to the perfect quadruples modelJohn A Parkhill, Julian Azar, Martin Head-Gordon
Chimia|May 4, 2018
Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen BondingJerome F Gonthier, Jonathan Thirman, Martin Head-Gordon
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-Gordon
Journal 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-Gordon
Journal 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-Gordon
Pageof 44

Showing results (131-140 of 438) with videos related to

Sort By:
Pageof 44
The Journal of Chemical Physics|May 2, 2008
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interactionDavid Casanova, Young Min Rhee, Martin Head-Gordon
The Journal of Chemical Physics|December 12, 2019
Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole statesJoonho Lee, David W Small, Martin Head-Gordon
Journal of the American Chemical Society|November 22, 2014
Hydrogen physisorption on metal-organic framework linkers and metalated linkers: a computational study of the factors that control binding strengthEhud Tsivion, Jeffrey R Long, Martin Head-Gordon
The Journal of Chemical Physics|May 23, 2016
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theoryJonathon Witte, Jeffrey B Neaton, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP|February 9, 2017
Energy decomposition analysis in an adiabatic pictureYuezhi Mao, Paul R Horn, Martin Head-Gordon
The Journal of Chemical Physics|April 26, 2011
The formulation and performance of a perturbative correction to the perfect quadruples modelJohn A Parkhill, Julian Azar, Martin Head-Gordon
Chimia|May 4, 2018
Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen BondingJerome F Gonthier, Jonathan Thirman, Martin Head-Gordon
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-Gordon
Journal 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-Gordon
Journal 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-Gordon
Pageof 44