Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods-Reference-Cited by-同舟云学术

Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods

Published:2020-10-28 Issue:16 Volume:153 Page:164304
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Akter Sharmin¹^ORCID,Yamamoto Yoh²^ORCID,Diaz Carlos M.¹^ORCID,Jackson Koblar A.³^ORCID,Zope Rajendra R.²^ORCID,Baruah Tunna²^ORCID

Affiliation:

1. Computational Science Program, The University of Texas at El Paso, El Paso, Texas 79968, USA

2. Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA

3. Physics Department and Science of Advanced Materials Program, Central Michigan University, Mt. Pleasant, Michigan 48859, USA

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/5.0025601

Reference76 articles.

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5. Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range

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