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The Journal of Chemical Physics
|
March 5, 2008
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
The 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 integrals
Anthony D Dutoi, Martin Head-Gordon
The 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 breaking
David W Small, Martin Head-Gordon
The 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 models
John A Parkhill, Martin Head-Gordon
The Journal of Chemical Physics
|
June 1, 2015
Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions
Richard Julian Azar, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2008
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2011
Post-modern valence bond theory for strongly correlated electron spins
David W Small, Martin Head-Gordon
The 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 correlation
Nicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics
|
October 10, 2014
Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip required
Nicholas J Mayhall, Martin Head-Gordon
Nature Communications
|
September 30, 2020
Clarifying the quantum mechanical origin of the covalent chemical bond
Daniel S Levine, Martin Head-Gordon
Page
of 44
Search research articles
Search
Showing results (81-90 of 438) with videos related to
Sort By:
Page
of 44
The Journal of Chemical Physics
|
March 5, 2008
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
The 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 integrals
Anthony D Dutoi, Martin Head-Gordon
The 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 breaking
David W Small, Martin Head-Gordon
The 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 models
John A Parkhill, Martin Head-Gordon
The Journal of Chemical Physics
|
June 1, 2015
Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions
Richard Julian Azar, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2008
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2011
Post-modern valence bond theory for strongly correlated electron spins
David W Small, Martin Head-Gordon
The 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 correlation
Nicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics
|
October 10, 2014
Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip required
Nicholas J Mayhall, Martin Head-Gordon
Nature Communications
|
September 30, 2020
Clarifying the quantum mechanical origin of the covalent chemical bond
Daniel S Levine, Martin Head-Gordon
Page
of 44