Efficient Implementation of NOCI-MP2 Using the Resolution of the Identity Approximation with Application to Charged Dimers and Long C–C Bonds in Ethane Derivatives-Reference-Cited by-同舟云学术

Efficient Implementation of NOCI-MP2 Using the Resolution of the Identity Approximation with Application to Charged Dimers and Long C–C Bonds in Ethane Derivatives

Published:2018-07-31 Issue:9 Volume:14 Page:4791-4805
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Yost Shane R.¹²³,Head-Gordon Martin²³^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Texas State University, San Marcos, Texas 78666, United States

2. Department of Chemistry, University of California, Berkeley, California 94720, United States

3. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00697

Reference111 articles.

1. A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

2. Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics

3. ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

4. A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions

5. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

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