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The Journal of Chemical Physics
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December 3, 2008
Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition states
Anthony Goodrow, Alexis T Bell, Martin Head-Gordon
The Journal of Chemical Physics
|
March 5, 2009
The perfect quadruples model for electron correlation in a valence active space
John A Parkhill, Keith Lawler, Martin Head-Gordon
The 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 systems
Diptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
The Journal of Chemical Physics
|
May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsity
Henryk Laqua, Linus Bjarne Dittmer, Martin Head-Gordon
The Journal of Chemical Physics
|
January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnet
Joonho Lee, David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach
Srimukh Prasad Veccham, Joonho Lee, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2016
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Paul R Horn, Yuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics
|
September 1, 2006
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
Joseph E Subotnik, Alex Sodt, Martin Head-Gordon
The Journal of Chemical Physics
|
November 30, 2006
Linear scaling density fitting
Alex Sodt, Joseph E Subotnik, Martin Head-Gordon
The Journal of Chemical Physics
|
July 2, 2009
Transition state-finding strategies for use with the growing string method
Anthony Goodrow, Alexis T Bell, Martin Head-Gordon
Page
of 44
Search research articles
Search
Showing results (141-150 of 438) with videos related to
Sort By:
Page
of 44
The 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 states
Anthony Goodrow, Alexis T Bell, Martin Head-Gordon
The Journal of Chemical Physics
|
March 5, 2009
The perfect quadruples model for electron correlation in a valence active space
John A Parkhill, Keith Lawler, Martin Head-Gordon
The 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 systems
Diptarka Hait, Yu Hsuan Liang, Martin Head-Gordon
The Journal of Chemical Physics
|
May 9, 2025
The conundrum of diffuse basis sets: A blessing for accuracy yet a curse for sparsity
Henryk Laqua, Linus Bjarne Dittmer, Martin Head-Gordon
The Journal of Chemical Physics
|
January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnet
Joonho Lee, David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
November 24, 2019
Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach
Srimukh Prasad Veccham, Joonho Lee, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2016
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Paul R Horn, Yuezhi Mao, Martin Head-Gordon
The Journal of Chemical Physics
|
September 1, 2006
A near linear-scaling smooth local coupled cluster algorithm for electronic structure
Joseph E Subotnik, Alex Sodt, Martin Head-Gordon
The Journal of Chemical Physics
|
November 30, 2006
Linear scaling density fitting
Alex Sodt, Joseph E Subotnik, Martin Head-Gordon
The Journal of Chemical Physics
|
July 2, 2009
Transition state-finding strategies for use with the growing string method
Anthony Goodrow, Alexis T Bell, Martin Head-Gordon
Page
of 44