First Ionization Energy as the Asymptotic Limit of the Average Local Electron Energy-Reference-Cited by-同舟云学术

First Ionization Energy as the Asymptotic Limit of the Average Local Electron Energy

Published:2020-10-19 Issue:11 Volume:16 Page:6886-6893
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

El-Samman Amer M.¹,Ospadov Egor¹,Staroverov Viktor N.¹^ORCID

Affiliation:

1. Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00806

Reference63 articles.

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3. Equations-of-Motion Method and the Extended Shell Model

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