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The Journal of Chemical Physics
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December 11, 2013
Spin-free Dirac-Coulomb calculations augmented with a perturbative treatment of spin-orbit effects at the Hartree-Fock level
Lan Cheng, Stella Stopkowicz, Jürgen Gauss
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2020
Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields
Florian Hampe, Niklas Gross, Stella Stopkowicz
The Journal of Physical Chemistry. A
|
December 31, 2024
Cholesky Decomposition and the Second-Derivative Two-Electron Integrals Required for the Computation of Magnetizabilities Using Gauge-Including Atomic Orbitals
Sophia Burger, Stella Stopkowicz, Jürgen Gauss
The Journal of Chemical Physics
|
July 12, 2024
Efficient approximate screening techniques for integrals over London atomic orbitals
Simon Blaschke, Stella Stopkowicz, Ansgar Pausch
Physical Chemistry Chemical Physics : PCCP
|
November 14, 2024
Finite-field Cholesky decomposed coupled-cluster techniques (ff-CD-CC): theory and application to pressure broadening of Mg by a He atmosphere and a strong magnetic field
Simon Blaschke, Marios-Petros Kitsaras, Stella Stopkowicz
The Journal of Chemical Physics
|
August 15, 2024
Publisher's Note: "The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field" [J. Chem. Phys. 160, 094112 (2024)]
Marios-Petros Kitsaras, Laura Grazioli, Stella Stopkowicz
Journal of Chemical Theory and Computation
|
December 8, 2025
Unitary Coupled-Cluster Theory for the Treatment of Molecules in Strong Magnetic Fields
Laura Grazioli, Marios-Petros Kitsaras, Stella Stopkowicz
The Journal of Chemical Physics
|
March 5, 2024
The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field
Marios-Petros Kitsaras, Laura Grazioli, Stella Stopkowicz
The Journal of Chemical Physics
|
August 22, 2021
NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals
Sophia Burger, Filippo Lipparini, Jürgen Gauss, et al.
The Journal of Chemical Physics
|
November 25, 2011
Direct perturbation theory in terms of energy derivatives: scalar-relativistic treatment up to sixth order
Werner Schwalbach, Stella Stopkowicz, Lan Cheng, et al.
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of 4
Search research articles
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Showing results (11-20 of 36) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
December 11, 2013
Spin-free Dirac-Coulomb calculations augmented with a perturbative treatment of spin-orbit effects at the Hartree-Fock level
Lan Cheng, Stella Stopkowicz, Jürgen Gauss
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2020
Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields
Florian Hampe, Niklas Gross, Stella Stopkowicz
The Journal of Physical Chemistry. A
|
December 31, 2024
Cholesky Decomposition and the Second-Derivative Two-Electron Integrals Required for the Computation of Magnetizabilities Using Gauge-Including Atomic Orbitals
Sophia Burger, Stella Stopkowicz, Jürgen Gauss
The Journal of Chemical Physics
|
July 12, 2024
Efficient approximate screening techniques for integrals over London atomic orbitals
Simon Blaschke, Stella Stopkowicz, Ansgar Pausch
Physical Chemistry Chemical Physics : PCCP
|
November 14, 2024
Finite-field Cholesky decomposed coupled-cluster techniques (ff-CD-CC): theory and application to pressure broadening of Mg by a He atmosphere and a strong magnetic field
Simon Blaschke, Marios-Petros Kitsaras, Stella Stopkowicz
The Journal of Chemical Physics
|
August 15, 2024
Publisher's Note: "The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field" [J. Chem. Phys. 160, 094112 (2024)]
Marios-Petros Kitsaras, Laura Grazioli, Stella Stopkowicz
Journal of Chemical Theory and Computation
|
December 8, 2025
Unitary Coupled-Cluster Theory for the Treatment of Molecules in Strong Magnetic Fields
Laura Grazioli, Marios-Petros Kitsaras, Stella Stopkowicz
The Journal of Chemical Physics
|
March 5, 2024
The approximate coupled-cluster methods CC2 and CC3 in a finite magnetic field
Marios-Petros Kitsaras, Laura Grazioli, Stella Stopkowicz
The Journal of Chemical Physics
|
August 22, 2021
NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals
Sophia Burger, Filippo Lipparini, Jürgen Gauss, et al.
The Journal of Chemical Physics
|
November 25, 2011
Direct perturbation theory in terms of energy derivatives: scalar-relativistic treatment up to sixth order
Werner Schwalbach, Stella Stopkowicz, Lan Cheng, et al.
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of 4