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The Journal of Chemical Physics
|
August 13, 2005
Higher-order response in O(N) by perturbed projection
Valéry Weber, Anders M N Niklasson, Matt Challacombe
The Journal of Chemical Physics
|
October 12, 2004
Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix
Chee Kwan Gan, C J Tymczak, Matt Challacombe
Physical Review Letters
|
June 1, 2004
Ab initio linear scaling response theory: electric polarizability by perturbed projection
Valéry Weber, Anders M N Niklasson, Matt Challacombe
The Journal of Chemical Physics
|
April 21, 2007
Time-reversible ab initio molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
Physical Review Letters
|
October 10, 2006
Time-reversible Born-Oppenheimer molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
The Journal of Chemical Physics
|
April 20, 2005
Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Gamma point
C J Tymczak, Valéry T Weber, Eric Schwegler, et al.
The Journal of Chemical Physics
|
August 22, 2008
Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory
Melissa J Lucero, Anders M N Niklasson, Sergei Tretiak, et al.
The Journal of Chemical Physics
|
February 12, 2009
Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories
Sergei Tretiak, Christine M Isborn, Anders M N Niklasson, et al.
The Journal of Chemical Physics
|
April 8, 2010
Trace correcting density matrix extrapolation in self-consistent geometry optimization
Anders M N Niklasson, Matt Challacombe, C J Tymczak, et al.
The Journal of Chemical Physics
|
January 12, 2010
Higher-order symplectic integration in Born-Oppenheimer molecular dynamics
Anders Odell, Anna Delin, Börje Johansson, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
August 13, 2005
Higher-order response in O(N) by perturbed projection
Valéry Weber, Anders M N Niklasson, Matt Challacombe
The Journal of Chemical Physics
|
October 12, 2004
Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix
Chee Kwan Gan, C J Tymczak, Matt Challacombe
Physical Review Letters
|
June 1, 2004
Ab initio linear scaling response theory: electric polarizability by perturbed projection
Valéry Weber, Anders M N Niklasson, Matt Challacombe
The Journal of Chemical Physics
|
April 21, 2007
Time-reversible ab initio molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
Physical Review Letters
|
October 10, 2006
Time-reversible Born-Oppenheimer molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
The Journal of Chemical Physics
|
April 20, 2005
Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Gamma point
C J Tymczak, Valéry T Weber, Eric Schwegler, et al.
The Journal of Chemical Physics
|
August 22, 2008
Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory
Melissa J Lucero, Anders M N Niklasson, Sergei Tretiak, et al.
The Journal of Chemical Physics
|
February 12, 2009
Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories
Sergei Tretiak, Christine M Isborn, Anders M N Niklasson, et al.
The Journal of Chemical Physics
|
April 8, 2010
Trace correcting density matrix extrapolation in self-consistent geometry optimization
Anders M N Niklasson, Matt Challacombe, C J Tymczak, et al.
The Journal of Chemical Physics
|
January 12, 2010
Higher-order symplectic integration in Born-Oppenheimer molecular dynamics
Anders Odell, Anna Delin, Börje Johansson, et al.
Page
of 3