Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory-Reference-Cited by-同舟云学术

Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory

Published:2017-07-21 Issue:8 Volume:13 Page:3505-3524
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Otero-de-la-Roza A.¹^ORCID,DiLabio Gino A.¹^ORCID

Affiliation:

1. Department of Chemistry and ‡Faculty of Management, University of British Columbia, Okanagan, 3247 University Way, Kelowna, British Columbia, Canada V1V 1V7

Funder

Ministerio de Econom?a y Competitividad

Natural Sciences and Engineering Research Council of Canada

University of British Columbia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00300

Reference154 articles.

1. Noncovalent Interactions in Density Functional Theory

2. Dispersion interactions in density-functional theory

3. Predicting Energetics of Supramolecular Systems Using the XDM Dispersion Model

4. Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes

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