Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core–Valence Correlation, and F12 Alternatives-Reference-Cited by-同舟云学术

Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core–Valence Correlation, and F12 Alternatives

Published:2020-11-17 Issue:12 Volume:16 Page:7507-7524
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Semidalas Emmanouil¹^ORCID,Martin Jan M. L.¹^ORCID

Affiliation:

1. Department of Organic Chemistry, Weizmann Institute of Science, 7610001 Rehovot, Israel

Funder

Israel Science Foundation

Weizmann Institute of Science

Alexander S. Onassis Public Benefit Foundation

Estate of Emile Mimran

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01106

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1. Gaussian-3 (G3) theory for molecules containing first and second-row atoms

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3. Gaussian-4 theory

4. Gaussian-4 theory using reduced order perturbation theory

5. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

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