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The Journal of Chemical Physics
|
February 12, 2015
Density fitting for three-electron integrals in explicitly correlated electronic structure theory
James C Womack, Frederick R Manby
The Journal of Chemical Physics
|
December 16, 2021
Massively parallel linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with plane wave basis set accuracy
Jacek Dziedzic, James C Womack, Rozh Ali, et al.
The Journal of Chemical Physics
|
December 3, 2016
Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package
James C Womack, Narbe Mardirossian, Martin Head-Gordon, et al.
The Journal of Physical Chemistry Letters
|
December 13, 2016
Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals
Narbe Mardirossian, Luis Ruiz Pestana, James C Womack, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
J Coleman Howard, James C Womack, Jacek Dziedzic, et al.
Journal of Chemical Theory and Computation
|
February 16, 2018
DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
James C Womack, Lucian Anton, Jacek Dziedzic, et al.
The Journal of Chemical Physics
|
May 10, 2020
The ONETEP linear-scaling density functional theory program
Joseph C A Prentice, Jolyon Aarons, James C Womack, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 12, 2015
Density fitting for three-electron integrals in explicitly correlated electronic structure theory
James C Womack, Frederick R Manby
The Journal of Chemical Physics
|
December 16, 2021
Massively parallel linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with plane wave basis set accuracy
Jacek Dziedzic, James C Womack, Rozh Ali, et al.
The Journal of Chemical Physics
|
December 3, 2016
Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package
James C Womack, Narbe Mardirossian, Martin Head-Gordon, et al.
The Journal of Physical Chemistry Letters
|
December 13, 2016
Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals
Narbe Mardirossian, Luis Ruiz Pestana, James C Womack, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
J Coleman Howard, James C Womack, Jacek Dziedzic, et al.
Journal of Chemical Theory and Computation
|
February 16, 2018
DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
James C Womack, Lucian Anton, Jacek Dziedzic, et al.
The Journal of Chemical Physics
|
May 10, 2020
The ONETEP linear-scaling density functional theory program
Joseph C A Prentice, Jolyon Aarons, James C Womack, et al.
Page
of 1