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The Journal of Chemical Physics|July 12, 2024
Efficient approximate screening techniques for integrals over London atomic orbitalsSimon Blaschke, Stella Stopkowicz, Ansgar PauschThe Journal of Chemical Physics|February 2, 2022
Cholesky decomposition of complex two-electron integrals over GIAOs: Efficient MP2 computations for large molecules in strong magnetic fieldsSimon Blaschke, Stella StopkowiczPhysical 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 fieldSimon Blaschke, Marios-Petros Kitsaras, Stella StopkowiczThe Journal of Chemical Physics|July 16, 2025
Quantification of the basis set error for molecules in strong magnetic fields and general orientationRaunak Farhaz, Florian A Bischoff, Simon Blaschke, et al.Journal of Chemical Theory and Computation|April 1, 2024
Consistent Analytical Second Derivatives of the Kohn-Sham DFT Energy in the Framework of the Conductor-Like Screening Model through Gaussian Charge DistributionsAnsgar PauschThe Journal of Physical Chemistry Letters|January 20, 2026
A Linear Response GOSTSHYP/COSMO Framework for Excited States in High Pressure EnvironmentsAnsgar PauschJournal of Chemical Theory and Computation|June 2, 2026
Polaritonic Coupled Cluster Theory for Unpolarized Cavities Exploiting Point-Group SymmetryLaurenz Monzel, Stella StopkowiczThe Journal of Chemical Physics|February 17, 2011
Direct perturbation theory in terms of energy derivatives: fourth-order relativistic corrections at the Hartree-Fock levelStella Stopkowicz, Jürgen GaussThe Journal of Physical Chemistry. A|October 23, 2024
Diagrams in Polaritonic Coupled Cluster TheoryLaurenz Monzel, Stella StopkowiczThe Journal of Chemical Physics|June 7, 2011
Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theoryStella Stopkowicz, Jürgen GaussPageof 8