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The Journal of Chemical Physics
|
May 16, 2016
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states
Robert Rüger, Erik van Lenthe, Thomas Heine, et al.
Journal of Chemical Theory and Computation
|
August 18, 2023
Two-Component <i>GW</i> Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent <i>GW</i> Variants
Arno Förster, Erik van Lenthe, Edoardo Spadetto, et al.
The Journal of Chemical Physics
|
December 7, 2007
Nuclear quadrupole moment of 139La from relativistic electronic structure calculations of the electric field gradients in LaF, LaCl, LaBr, and LaI
Christoph R Jacob, Lucas Visscher, Christian Thierfelder, et al.
Journal of Chemical Theory and Computation
|
September 18, 2025
Periodic Implementation of the Random Phase Approximation with Numerical Atomic Orbitals and Dual Reciprocal Space Grids
Edoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster, et al.
The Journal of Physical Chemistry. A
|
October 15, 2020
Not Completely Innocent: How Argon Binding Perturbs Cationic Copper Clusters
Zahra Jamshidi, Olga V Lushchikova, Joost M Bakker, et al.
The Journal of Chemical Physics
|
January 5, 2017
Theoretical study of actinide monocarbides (ThC, UC, PuC, and AmC)
Peter Pogány, Attila Kovács, Lucas Visscher, et al.
Journal of Chemical Theory and Computation
|
February 14, 2023
Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy
Edoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster, et al.
The Journal of Chemical Physics
|
February 4, 2025
Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitals
Mauricio Rodríguez-Mayorga, Pierre-François Loos, Fabien Bruneval, et al.
The Journal of Chemical Physics
|
August 3, 2014
Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes
Paweł Tecmer, André Severo Pereira Gomes, Stefan Knecht, et al.
The Journal of Physical Chemistry. A
|
December 4, 2025
A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
Xiang Yuan, Loïc Halbert, Lucas Visscher, et al.
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Search research articles
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Showing results (61-70 of 140) with videos related to
Sort By:
Page
of 14
The Journal of Chemical Physics
|
May 16, 2016
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states
Robert Rüger, Erik van Lenthe, Thomas Heine, et al.
Journal of Chemical Theory and Computation
|
August 18, 2023
Two-Component <i>GW</i> Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent <i>GW</i> Variants
Arno Förster, Erik van Lenthe, Edoardo Spadetto, et al.
The Journal of Chemical Physics
|
December 7, 2007
Nuclear quadrupole moment of 139La from relativistic electronic structure calculations of the electric field gradients in LaF, LaCl, LaBr, and LaI
Christoph R Jacob, Lucas Visscher, Christian Thierfelder, et al.
Journal of Chemical Theory and Computation
|
September 18, 2025
Periodic Implementation of the Random Phase Approximation with Numerical Atomic Orbitals and Dual Reciprocal Space Grids
Edoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster, et al.
The Journal of Physical Chemistry. A
|
October 15, 2020
Not Completely Innocent: How Argon Binding Perturbs Cationic Copper Clusters
Zahra Jamshidi, Olga V Lushchikova, Joost M Bakker, et al.
The Journal of Chemical Physics
|
January 5, 2017
Theoretical study of actinide monocarbides (ThC, UC, PuC, and AmC)
Peter Pogány, Attila Kovács, Lucas Visscher, et al.
Journal of Chemical Theory and Computation
|
February 14, 2023
Toward Pair Atomic Density Fitting for Correlation Energies with Benchmark Accuracy
Edoardo Spadetto, Pier Herman Theodoor Philipsen, Arno Förster, et al.
The Journal of Chemical Physics
|
February 4, 2025
Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitals
Mauricio Rodríguez-Mayorga, Pierre-François Loos, Fabien Bruneval, et al.
The Journal of Chemical Physics
|
August 3, 2014
Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes
Paweł Tecmer, André Severo Pereira Gomes, Stefan Knecht, et al.
The Journal of Physical Chemistry. A
|
December 4, 2025
A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
Xiang Yuan, Loïc Halbert, Lucas Visscher, et al.
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of 14