Search research articles
Contact Us
Filters
Showing results (11-20 of 26) with videos related to
Page
of 3
Sort By:
Journal of Chemical Theory and Computation
|
November 21, 2015
Mixed Ramp-Gaussian Basis Sets
Laura K McKemmish, Andrew T B Gilbert, Peter M W Gill
The Journal of Physical Chemistry. A
|
August 30, 2008
Self-consistent field calculations of excited states using the maximum overlap method (MOM)
Andrew T B Gilbert, Nicholas A Besley, Peter M W Gill
Journal of Chemical Theory and Computation
|
December 23, 2017
Excitation Number: Characterizing Multiply Excited States
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
The Journal of Chemical Physics
|
September 22, 2014
Communication: Hartree-Fock description of excited states of H₂
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
Journal of Chemical Theory and Computation
|
February 15, 2018
Simple Models for Difficult Electronic Excitations
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
Journal of Chemical Theory and Computation
|
November 21, 2015
Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals
Bun Chan, Andrew T B Gilbert, Peter M W Gill, et al.
The Journal of Chemical Physics
|
June 3, 2008
Resolutions of the Coulomb operator
Sergey A Varganov, Andrew T B Gilbert, Evelyne Deplazes, et al.
The Journal of Physical Chemistry. A
|
January 17, 2023
Avoiding Negligible Shell Pairs and Quartets in Electronic Structure Calculations
Ellena K G Black, Andrew T B Gilbert, Simon C McKenzie, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
BFW: a density functional for transition metal clusters
Matthew A Addicoat, Mark A Buntine, Gregory F Metha, et al.
The Journal of Physical Chemistry. A
|
February 22, 2018
Efficient Method for Calculating Effective Core Potential Integrals
Simon C McKenzie, Evgeny Epifanovsky, Giuseppe M J Barca, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 21, 2015
Mixed Ramp-Gaussian Basis Sets
Laura K McKemmish, Andrew T B Gilbert, Peter M W Gill
The Journal of Physical Chemistry. A
|
August 30, 2008
Self-consistent field calculations of excited states using the maximum overlap method (MOM)
Andrew T B Gilbert, Nicholas A Besley, Peter M W Gill
Journal of Chemical Theory and Computation
|
December 23, 2017
Excitation Number: Characterizing Multiply Excited States
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
The Journal of Chemical Physics
|
September 22, 2014
Communication: Hartree-Fock description of excited states of H₂
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
Journal of Chemical Theory and Computation
|
February 15, 2018
Simple Models for Difficult Electronic Excitations
Giuseppe M J Barca, Andrew T B Gilbert, Peter M W Gill
Journal of Chemical Theory and Computation
|
November 21, 2015
Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals
Bun Chan, Andrew T B Gilbert, Peter M W Gill, et al.
The Journal of Chemical Physics
|
June 3, 2008
Resolutions of the Coulomb operator
Sergey A Varganov, Andrew T B Gilbert, Evelyne Deplazes, et al.
The Journal of Physical Chemistry. A
|
January 17, 2023
Avoiding Negligible Shell Pairs and Quartets in Electronic Structure Calculations
Ellena K G Black, Andrew T B Gilbert, Simon C McKenzie, et al.
The Journal of Physical Chemistry. A
|
March 29, 2007
BFW: a density functional for transition metal clusters
Matthew A Addicoat, Mark A Buntine, Gregory F Metha, et al.
The Journal of Physical Chemistry. A
|
February 22, 2018
Efficient Method for Calculating Effective Core Potential Integrals
Simon C McKenzie, Evgeny Epifanovsky, Giuseppe M J Barca, et al.
Page
of 3