Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles-Reference-Cited by-同舟云学术

Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles

Published:2019-06-21 Issue:23 Volume:150 Page:234113
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Cacelli Ivo¹²^ORCID,Lipparini Filippo¹^ORCID,Greff da Silveira Leandro³,Jacobs Matheus⁴⁵,Livotto Paolo Roberto³,Prampolini Giacomo²^ORCID

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy

2. Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

3. Instituto de Química, Universidade Federal do Rio Grande do Sul, Avenida Bento Gonçalves 9500, CEP 91501-970 Porto Alegre, Brazil

4. Institut für Physik, Humboldt-Universität zu Berlin, Newtonstr. 15, 12489 Berlin, Germany

5. IRIS Adelrshof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin, Germany

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5094288

Reference51 articles.

1. Van der Waals Forces

2. Intermolecular Interactions

3. Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies

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