Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born–Oppenheimer approximation using all-particle complex explicitly correlated Gaussian functions-Reference-Cited by-同舟云学术

Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born–Oppenheimer approximation using all-particle complex explicitly correlated Gaussian functions

Published:2020-05-29 Issue:20 Volume:152 Page:204102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Bubin Sergiy¹^ORCID,Adamowicz Ludwik²^ORCID

Affiliation:

1. Department of Physics, School of Sciences and Humanities, Nazarbayev University, Nur-Sultan 010000, Kazakhstan

2. Department of Chemistry and Biochemistry and Department of Physics, University of Arizona, Tucson, Arizona 85721, USA and Interdisciplinary Center for Modern Technologies, Nicolaus Copernicus University, Toruń PL 87-100, Poland

Funder

MES-MK State-Targeted Program

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5144268

Reference18 articles.

1. Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm

2. Pre-Born–Oppenheimer molecular structure theory