Self-Consistent Implementation of Kohn–Sham Adiabatic Connection Models with Improved Treatment of the Strong-Interaction Limit-Reference-Cited by-同舟云学术

Self-Consistent Implementation of Kohn–Sham Adiabatic Connection Models with Improved Treatment of the Strong-Interaction Limit

Published:2022-09-12 Issue:10 Volume:18 Page:5936-5947
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Śmiga Szymon¹^ORCID,Della Sala Fabio²³^ORCID,Gori-Giorgi Paola⁴^ORCID,Fabiano Eduardo²³^ORCID

Affiliation:

1. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudziądzka 5, 87-100 Toruń, Poland

2. Institute for Microelectronics and Microsystems (CNR-IMM), Campus Unisalento, Lecce, Via Monteroni 73100, Italy

3. Center for Biomolecular Nanotechnologies, Istituto Italiano di Tecnologia, Via Barsanti 14, Arnesano, Lecce 73010, Italy

4. Department of Chemistry & Pharmaceutical Sciences and Amsterdam Institute of Molecular and Life Sciences (AIMMS), Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands

Funder

Narodowe Centrum Nauki

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

CANALETTO

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00352

Reference103 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects