Basis set truncation corrections for improved frozen natural orbital CCSD(T) energies-Reference-Cited by-同舟云学术

Basis set truncation corrections for improved frozen natural orbital CCSD(T) energies

Published:2021-08-08 Issue:21-22 Volume:119 Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Nagy Péter R.¹^ORCID,Gyevi-Nagy László¹,Kállay Mihály¹

Affiliation:

1. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Budapest, Hungary

Funder

National Research, Development, and Innovation Office

NRDI Fund

NRDI Office

National Research, Development and Innovation Fund

Hungarian Academy of Sciences

PRACE AISBL

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2021.1963495

Reference97 articles.

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2. J. Gauss, in Encyclopedia of Computational Chemistry, edited by P.R. Schleyer, W.L. Jorgensen, H.F. Schaefer III, P.R. Schreiner and W. Thiel (Wiley, New York, 1998), p. 615.

3. Coupled-cluster theory in quantum chemistry

4. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

5. A fifth-order perturbation comparison of electron correlation theories

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