Near dissociation states for H2+–He on MRCI and FCI potential energy surfaces
Author:
Affiliation:
1. Department of Chemistry
2. University of Basel
3. CH-4056 Basel
4. Switzerland
5. Theoretical Chemistry
6. Institute for Molecules and Materials
7. Radboud University Nijmegen
8. Nijmegen
9. The Netherlands
Abstract
Ro-vibrational states for H2+–He on new kernel-based potential energy surfaces based on MRCI and FCI calculations.
Funder
Air Force Office of Scientific Research
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP05259C
Reference44 articles.
1. The molecular universe
2. A Review of Aerosol Nanoparticle Formation from Ions
3. Astrophysical detection of the helium hydride ion HeH+
4. Stimulated Radiative Association of He and H+
5. H 3 + at the interface between astrochemistry and astroparticle physics
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