Search research articles
Contact Us
Filters
Showing results (51-60 of 438) with videos related to
Page
of 44
Sort By:
The Journal of Chemical Physics
|
August 8, 2016
Size consistent formulations of the perturb-then-diagonalize Møller-Plesset perturbation theory correction to non-orthogonal configuration interaction
Shane R Yost, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
October 15, 2024
Smoother Semiclassical Dispersion for Density Functional Theory via D3S: Understanding and Addressing Unphysical Minima in the D3 Dispersion Correction Model
Nikolay V Tkachenko, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
May 25, 2007
Scaled second-order perturbation corrections to configuration interaction singles: efficient and reliable excitation energy methods
Young Min Rhee, Martin Head-Gordon
The Journal of Chemical Physics
|
August 21, 2007
Correction to constrained coupled cluster doubles models based on the second coupled cluster central moment
David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
July 17, 2017
Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer
David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
July 17, 2010
A tractable and accurate electronic structure method for static correlations: the perfect hextuples model
John A Parkhill, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
August 11, 2006
On the nature of unrestricted orbitals in variational active space wave functions
Gregory J Beran, Martin Head-Gordon
The Journal of Chemical Physics
|
May 5, 2007
Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules
Rohini C Lochan, Martin Head-Gordon
The Journal of Chemical Physics
|
March 3, 2005
A localized basis that allows fast and accurate second-order Moller-Plesset calculations
Joseph E Subotnik, Martin Head-Gordon
The Journal of Chemical Physics
|
January 7, 2005
Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories
John M Herbert, Martin Head-Gordon
Page
of 44
Search research articles
Search
Showing results (51-60 of 438) with videos related to
Sort By:
Page
of 44
The Journal of Chemical Physics
|
August 8, 2016
Size consistent formulations of the perturb-then-diagonalize Møller-Plesset perturbation theory correction to non-orthogonal configuration interaction
Shane R Yost, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
October 15, 2024
Smoother Semiclassical Dispersion for Density Functional Theory via D3S: Understanding and Addressing Unphysical Minima in the D3 Dispersion Correction Model
Nikolay V Tkachenko, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
May 25, 2007
Scaled second-order perturbation corrections to configuration interaction singles: efficient and reliable excitation energy methods
Young Min Rhee, Martin Head-Gordon
The Journal of Chemical Physics
|
August 21, 2007
Correction to constrained coupled cluster doubles models based on the second coupled cluster central moment
David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
July 17, 2017
Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer
David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
July 17, 2010
A tractable and accurate electronic structure method for static correlations: the perfect hextuples model
John A Parkhill, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
August 11, 2006
On the nature of unrestricted orbitals in variational active space wave functions
Gregory J Beran, Martin Head-Gordon
The Journal of Chemical Physics
|
May 5, 2007
Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules
Rohini C Lochan, Martin Head-Gordon
The Journal of Chemical Physics
|
March 3, 2005
A localized basis that allows fast and accurate second-order Moller-Plesset calculations
Joseph E Subotnik, Martin Head-Gordon
The Journal of Chemical Physics
|
January 7, 2005
Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories
John M Herbert, Martin Head-Gordon
Page
of 44