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Structural Dynamics (Melville, N.Y.)
|
May 30, 2023
A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation
Anna Kristina Schnack-Petersen, Mátyás Pápai, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
September 9, 2022
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
Journal of Chemical Theory and Computation
|
February 21, 2022
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
Scientific Reports
|
April 25, 2017
Relation between molecular electronic structure and nuclear spin-induced circular dichroism
Petr Štěpánek, Sonia Coriani, Dage Sundholm, et al.
The Journal of Chemical Physics
|
July 1, 2022
Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals
Anna Kristina Schnack-Petersen, Henrik Koch, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories
Thomas Kjærgaard, Poul Jørgensen, Andreas J Thorvaldsen, et al.
The Journal of Physical Chemistry. A
|
February 10, 2023
New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering
Anna Kristina Schnack-Petersen, Torsha Moitra, Sarai Dery Folkestad, et al.
Journal of Chemical Theory and Computation
|
April 10, 2019
New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States
Marta L Vidal, Xintian Feng, Evgeny Epifanovsky, et al.
The Journal of Chemical Physics
|
November 19, 2005
The accuracy of ab initio molecular geometries for systems containing second-row atoms
Sonia Coriani, Domenico Marchesan, Jürgen Gauss, et al.
The Journal of Physical Chemistry. A
|
March 26, 2026
Forty Years of Response Function Theory
Sonia Coriani, Ove Christiansen, Henrik Koch, et al.
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Search research articles
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Showing results (61-70 of 156) with videos related to
Sort By:
Page
of 16
Structural Dynamics (Melville, N.Y.)
|
May 30, 2023
A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation
Anna Kristina Schnack-Petersen, Mátyás Pápai, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
September 9, 2022
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
Journal of Chemical Theory and Computation
|
February 21, 2022
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, et al.
Scientific Reports
|
April 25, 2017
Relation between molecular electronic structure and nuclear spin-induced circular dichroism
Petr Štěpánek, Sonia Coriani, Dage Sundholm, et al.
The Journal of Chemical Physics
|
July 1, 2022
Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals
Anna Kristina Schnack-Petersen, Henrik Koch, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories
Thomas Kjærgaard, Poul Jørgensen, Andreas J Thorvaldsen, et al.
The Journal of Physical Chemistry. A
|
February 10, 2023
New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering
Anna Kristina Schnack-Petersen, Torsha Moitra, Sarai Dery Folkestad, et al.
Journal of Chemical Theory and Computation
|
April 10, 2019
New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States
Marta L Vidal, Xintian Feng, Evgeny Epifanovsky, et al.
The Journal of Chemical Physics
|
November 19, 2005
The accuracy of ab initio molecular geometries for systems containing second-row atoms
Sonia Coriani, Domenico Marchesan, Jürgen Gauss, et al.
The Journal of Physical Chemistry. A
|
March 26, 2026
Forty Years of Response Function Theory
Sonia Coriani, Ove Christiansen, Henrik Koch, et al.
Page
of 16