A Cost Effective Scheme for the Highly Accurate Description of Intermolecular Binding in Large Complexes
There has been a growing interest in quantitative predictions of the intermolecular binding energy of large complexes. One of the most important quantum chemical techniques capable of such predictions is the domain-based local pair natural orbital (DLPNO) scheme for the coupled cluster theory with s...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2022-12-01
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Series: | International Journal of Molecular Sciences |
Subjects: | |
Online Access: | https://www.mdpi.com/1422-0067/23/24/15773 |