Calculation of the inner‐shell contribution to the correlation energy through DLPNO‐CEPA/1 and scaled same‐spin second‐order Møller–Plesset perturbation theory-Reference-Cited by-同舟云学术

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Calculation of the inner‐shell contribution to the correlation energy through DLPNO‐CEPA/1 and scaled same‐spin second‐order Møller–Plesset perturbation theory

Published:2020-01-23 Issue:10 Volume:41 Page:1012-1017
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Sánchez Hernán R.¹^ORCID

Affiliation:

1. Centro de Química InorgánicaCONICET La Plata ‐ UNLP Argentina

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26147

Reference72 articles.

1. A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

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

3. W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data

4. Improved accuracy benchmarks of small molecules using correlation consistent basis sets

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