Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets-Reference-Cited by-同舟云学术

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Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets

Published:2021-07-07 Issue:1 Volume:155 Page:011102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Guther Kai¹²^ORCID,Cohen Aron J.¹^ORCID,Luo Hongjun¹^ORCID,Alavi Ali¹³^ORCID

Affiliation:

1. Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Federal Republic of Germany

2. RIKEN Center for Computational Science, 7-1-26 Minatojima-minami, Chuo Kobe 650-0047, Japan

3. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Funder

Max-Planck-Gesellschaft

RIKEN

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0055575

Reference42 articles.

1. Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium

2. Importance of Angular Correlations between Atomic Electrons

3. r 12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l

4. R12 methods in explicitly correlated molecular electronic structure theory

5. Explicitly Correlated R12/F12 Methods for Electronic Structure

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