Global Analytical Potential Energy Surface for the Electronic Ground State of NH3 from High Level ab Initio Calculations-Reference-Cited by-同舟云学术

Global Analytical Potential Energy Surface for the Electronic Ground State of NH3 from High Level ab Initio Calculations

Published:2013-08-01 Issue:32 Volume:117 Page:7502-7522
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Marquardt Roberto¹,Sagui Kenneth²,Zheng Jingjing³,Thiel Walter³,Luckhaus David⁴,Yurchenko Sergey⁵,Mariotti Fabio⁶,Quack Martin⁶

Affiliation:

1. Laboratoire de Chimie Quantique, Institut de Chimie UMR 7177 CNRS/Université de Strasbourg, 1 rue Blaise Pascal, BP 296/R8, Strasbourg CEDEX, France

2. Laboratoire de Chimie Theorique, Université de Marne-la-Vallée 5 Bd Descartes (Champs-sur-Marne), F-77454 Marne-la-Vallée Cedex 2, France

3. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany

4. Chemistry Department, University of British Columbia, 6174 University Boulevard, Vancouver, BC V6T 1Z3, Canada

5. Department of Physics and Astronomy, University College London, London, WC1E 6BT, U.K.

6. Laboratorium für Physikalische Chemie, ETH Zürich Wolfgang Pauli Str. 10, CH-8093 Zürich, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp4016728

Reference108 articles.

1. Schatz, G. C.InAdvances in Molecular Electronic Structure Theory;Dunning, T. H., Jr., Ed.JAI Press Inc.:Greenwich, CT, 1990; Vol.1, pp85–127.

2. CONSTRUCTING MULTIDIMENSIONAL MOLECULAR POTENTIAL ENERGY SURFACES FROM AB INITIO DATA

3. Permutationally invariant potential energy surfaces in high dimensionality

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