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3 articles related to "Electron Electron Correlation"

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Articles

Original Research

Published on 05 Aug 2022

Nuclear–Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation

in Chemical Physics and Physical Chemistry

Karl Michael Ziems
Jakob Bruhnke
Volker Engel
Stefanie Gräfe

Frontiers in Chemistry

doi 10.3389/fchem.2022.942633

2,928 views
2 citations

Original Research

Published on 14 Jun 2023

Coupled cluster theory on modern heterogeneous supercomputers

in Theoretical and Computational Chemistry

Hector H. Corzo
Andreas Erbs Hillers-Bendtsen
Ashleigh Barnes
Abdulrahman Y. Zamani
Filip Pawłowski
Jeppe Olsen
Poul Jørgensen
Kurt V. Mikkelsen
Dmytro Bykov

Frontiers in Chemistry

doi 10.3389/fchem.2023.1154526

5,318 views
6 citations

Original Research

Published on 18 Mar 2021

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

in Chemical Physics and Physical Chemistry

Eric J. Bylaska
Duo Song
Nicholas P. Bauman
Karol Kowalski
Daniel Claudino
Travis S. Humble

Frontiers in Chemistry

doi 10.3389/fchem.2021.603019

5,952 views
18 citations