Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets-Reference-Cited by-同舟云学术

Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets

Author:

Lehtola Susi¹^ORCID,Visscher Lucas²^ORCID,Engel Eberhard³^ORCID

Affiliation:

1. Department of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen aukio 1), FI-00014 Helsinki, Finland

2. Division of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

3. Center for Scientific Computing, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 1, D-60438 Frankfurt am Main, Germany

Funder

Academy of Finland

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference53 articles.

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