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The Journal of Chemical Physics
|
August 10, 2013
A variational method for density functional theory calculations on metallic systems with thousands of atoms
Álvaro Ruiz-Serrano, Chris-Kriton Skylaris
The Journal of Chemical Physics
|
November 5, 2013
Variationally localized search direction method for constrained optimization of non-orthogonal, localized orbitals in electronic structure calculations
Álvaro Ruiz-Serrano, Chris-Kriton Skylaris
The Journal of Chemical Physics
|
July 12, 2012
Pulay forces from localized orbitals optimized in situ using a psinc basis set
Álvaro Ruiz-Serrano, Nicholas D M Hine, Chris-Kriton Skylaris
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 4) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
August 10, 2013
A variational method for density functional theory calculations on metallic systems with thousands of atoms
Álvaro Ruiz-Serrano, Chris-Kriton Skylaris
The Journal of Chemical Physics
|
November 5, 2013
Variationally localized search direction method for constrained optimization of non-orthogonal, localized orbitals in electronic structure calculations
Álvaro Ruiz-Serrano, Chris-Kriton Skylaris
The Journal of Chemical Physics
|
July 12, 2012
Pulay forces from localized orbitals optimized in situ using a psinc basis set
Álvaro Ruiz-Serrano, Nicholas D M Hine, Chris-Kriton Skylaris
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