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Journal of Chemical Theory and Computation
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August 6, 2019
Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime
Janus J Eriksen, Jürgen Gauss
Journal of Chemical Theory and Computation
|
August 21, 2018
Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime
Janus J Eriksen, Jürgen Gauss
The Journal of Physical Chemistry. A
|
April 11, 2023
Symmetrization of Localized Molecular Orbitals
Jonas Greiner, Janus J Eriksen
Journal of Chemical Theory and Computation
|
December 5, 2023
Properties of Local Electronic Structures
Frederik Ø Kjeldal, Janus J Eriksen
Journal of Chemical Theory and Computation
|
March 17, 2023
Decomposing Chemical Space: Applications to the Machine Learning of Atomic Energies
Frederik Ø Kjeldal, Janus J Eriksen
The Journal of Chemical Physics
|
January 10, 2015
On the convergence of perturbative coupled cluster triples expansions: error cancellations in the CCSD(T) model and the importance of amplitude relaxation
Janus J Eriksen, Poul Jørgensen, Jürgen Gauss
The Journal of Physical Chemistry Letters
|
September 12, 2017
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit
Janus J Eriksen, Filippo Lipparini, Jürgen Gauss
The Journal of Physical Chemistry Letters
|
September 20, 2024
Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set
Jonas Greiner, Jürgen Gauss, Janus J Eriksen
The Journal of Physical Chemistry. A
|
August 5, 2024
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
Jonas Greiner, Jürgen Gauss, Janus J Eriksen
The Journal of Chemical Physics
|
May 10, 2014
Equation-of-motion coupled cluster perturbation theory revisited
Janus J Eriksen, Poul Jørgensen, Jeppe Olsen, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 35) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
August 6, 2019
Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime
Janus J Eriksen, Jürgen Gauss
Journal of Chemical Theory and Computation
|
August 21, 2018
Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime
Janus J Eriksen, Jürgen Gauss
The Journal of Physical Chemistry. A
|
April 11, 2023
Symmetrization of Localized Molecular Orbitals
Jonas Greiner, Janus J Eriksen
Journal of Chemical Theory and Computation
|
December 5, 2023
Properties of Local Electronic Structures
Frederik Ø Kjeldal, Janus J Eriksen
Journal of Chemical Theory and Computation
|
March 17, 2023
Decomposing Chemical Space: Applications to the Machine Learning of Atomic Energies
Frederik Ø Kjeldal, Janus J Eriksen
The Journal of Chemical Physics
|
January 10, 2015
On the convergence of perturbative coupled cluster triples expansions: error cancellations in the CCSD(T) model and the importance of amplitude relaxation
Janus J Eriksen, Poul Jørgensen, Jürgen Gauss
The Journal of Physical Chemistry Letters
|
September 12, 2017
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit
Janus J Eriksen, Filippo Lipparini, Jürgen Gauss
The Journal of Physical Chemistry Letters
|
September 20, 2024
Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set
Jonas Greiner, Jürgen Gauss, Janus J Eriksen
The Journal of Physical Chemistry. A
|
August 5, 2024
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
Jonas Greiner, Jürgen Gauss, Janus J Eriksen
The Journal of Chemical Physics
|
May 10, 2014
Equation-of-motion coupled cluster perturbation theory revisited
Janus J Eriksen, Poul Jørgensen, Jeppe Olsen, et al.
Page
of 4