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The Journal of Chemical Physics
|
December 10, 2008
Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies
Kasper Kristensen, Poul Jørgensen, Andreas J Thorvaldsen, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2007
Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics
Pål Dahle, Trygve Helgaker, Dan Jonsson, et al.
The Journal of Chemical Physics
|
April 7, 2007
Linear-scaling symmetric square-root decomposition of the overlap matrix
Branislav Jansík, Stinne Host, Poul Jorgensen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 29, 2008
Static and frequency-dependent dipole-dipole polarizabilities of all closed-shell atoms up to radium: a four-component relativistic DFT study
Radovan Bast, Andreas Hesselmann, Paweł Sałek, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Atmospheric chemistry of CHF2CHO: study of the IR and UV-vis absorption cross sections, photolysis, and OH-, Cl-, and NO3-initiated oxidation
Stig R Sellevåg, Yngve Stenstrøm, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
August 14, 2008
Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling
Thomas Kjaergaard, Poul Jørgensen, Jeppe Olsen, et al.
The Journal of Chemical Physics
|
November 12, 2024
Non-adiabatic coupling matrix elements in a magnetic field: Geometric gauge dependence and Berry phase
Tanner Culpitt, Erik I Tellgren, Laurens D M Peters, et al.
The Journal of Chemical Physics
|
July 23, 2004
Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets
Mark A Watson, Nicholas C Handy, Aron J Cohen, et al.
Journal of Chemical Theory and Computation
|
January 27, 2023
Berry Population Analysis: Atomic Charges from the Berry Curvature in a Magnetic Field
Laurens D M Peters, Tanner Culpitt, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
October 8, 2022
Magnetic-translational sum rule and approximate models of the molecular Berry curvature
Laurens D M Peters, Tanner Culpitt, Erik I Tellgren, et al.
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of 12
Search research articles
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Showing results (41-50 of 117) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
December 10, 2008
Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies
Kasper Kristensen, Poul Jørgensen, Andreas J Thorvaldsen, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 7, 2007
Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics
Pål Dahle, Trygve Helgaker, Dan Jonsson, et al.
The Journal of Chemical Physics
|
April 7, 2007
Linear-scaling symmetric square-root decomposition of the overlap matrix
Branislav Jansík, Stinne Host, Poul Jorgensen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 29, 2008
Static and frequency-dependent dipole-dipole polarizabilities of all closed-shell atoms up to radium: a four-component relativistic DFT study
Radovan Bast, Andreas Hesselmann, Paweł Sałek, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Atmospheric chemistry of CHF2CHO: study of the IR and UV-vis absorption cross sections, photolysis, and OH-, Cl-, and NO3-initiated oxidation
Stig R Sellevåg, Yngve Stenstrøm, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
August 14, 2008
Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling
Thomas Kjaergaard, Poul Jørgensen, Jeppe Olsen, et al.
The Journal of Chemical Physics
|
November 12, 2024
Non-adiabatic coupling matrix elements in a magnetic field: Geometric gauge dependence and Berry phase
Tanner Culpitt, Erik I Tellgren, Laurens D M Peters, et al.
The Journal of Chemical Physics
|
July 23, 2004
Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets
Mark A Watson, Nicholas C Handy, Aron J Cohen, et al.
Journal of Chemical Theory and Computation
|
January 27, 2023
Berry Population Analysis: Atomic Charges from the Berry Curvature in a Magnetic Field
Laurens D M Peters, Tanner Culpitt, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
October 8, 2022
Magnetic-translational sum rule and approximate models of the molecular Berry curvature
Laurens D M Peters, Tanner Culpitt, Erik I Tellgren, et al.
Page
of 12