Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method-Reference-Cited by-同舟云学术

Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method

Published:2018-01-18 Issue:3 Volume:14 Page:1370-1382
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Brabec Jiri¹^ORCID,Lang Jakub¹²,Saitow Masaaki³,Pittner Jiří¹,Neese Frank³,Demel Ondřej¹

Affiliation:

1. J. Heyrovský Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejškova 3, 18223 Prague 8, Czech Republic

2. Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030, 12840 Prague 2, Czech Republic

3. Max Planck Institute for Chemical Energy Conversion, 45470 Mülheim an der Ruhr, Germany

Funder

Deutscher Akademischer Austauschdienst

Ministerstvo Školství, Mládeže a Telovýchovy

Grantová Agentura Ceské Republiky

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01184

Reference110 articles.

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4. The multi-reference Hilbert space coupled-cluster study of the Li2 molecule. Application in a complete model space

5. A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications

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