Molecular Dipole Moments within the Incremental Scheme Using the Domain-Specific Basis-Set Approach-Reference-Cited by-同舟云学术

Molecular Dipole Moments within the Incremental Scheme Using the Domain-Specific Basis-Set Approach

Published:2016-06-29 Issue:7 Volume:12 Page:3040-3052
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fiedler Benjamin¹,Coriani Sonia²³,Friedrich Joachim¹

Affiliation:

1. Institute for Chemistry, Technische Universität Chemnitz, Straße der Nationen 62, D-09111 Chemnitz, Germany

2. Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri 1, I-34127 Trieste, Italy

3. Aarhus Institute of Advanced Studies, Aarhus University, Høegh-Guldbergs Gade 6B, DK-8000 Aarhus C, Denmark

Funder

Deutsche Forschungsgemeinschaft

Aarhus Universitets Forskningsfond

Directorate-General for Research and Innovation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00076

Reference135 articles.

1. First-order one-electron properties in the integral-direct coupled cluster singles and doubles model

2. Basis-set convergence of the molecular electric dipole moment

3. The accuracy of molecular dipole moments in standard electronic structure calculations

4. Helgaker, T.; Jørgensen, P.; Olsen, J.Molecular Electronic-Structure Theory;John Wiley & Sons Ltd.:Chichester, West-Sussex, United Kingdom, 2000; pp836–840.

5. Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties

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