Plain Capping for Improved Accuracy of Approximate One- and Two-Electron Densities at Two-Particle Coalescence Points-Reference-Cited by-同舟云学术

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Plain Capping for Improved Accuracy of Approximate One- and Two-Electron Densities at Two-Particle Coalescence Points

Published:2024-09-03 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cioslowski Jerzy¹²^ORCID,Strasburger Krzysztof³^ORCID

Affiliation:

1. Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland

2. Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Straaae 38, 01187 Dresden, Germany

3. Department of Physical and Quantum Chemistry, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland

Funder

Narodowe Centrum Nauki

Max-Planck-Institut f?r Physik Komplexer Systeme

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00533

Reference41 articles.

1. The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation

2. The use of Gaussian (exponential quadratic) wave functions in molecular problems - I. General formulae for the evaluation of integrals

3. Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

4. A computational chemist's guide to accurate thermochemistry for organic molecules

5. Theory and application of explicitly correlated Gaussians

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