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Unveiling the Physics Behind Hybrid Functionals

Published:2020-06-17 Issue:27 Volume:124 Page:5606-5614
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Śmiga Szymon¹^ORCID,Constantin Lucian A.²³^ORCID

Affiliation:

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

2. Center for Biomolecular Nanotechnologies@UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy

3. Istituto di Nanoscienze, Consiglio Nazionale delle Ricerche CNR-NANO, 41125 Modena, Italy

Funder

Narodowe Centrum Nauki

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c04156

Reference105 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Inhomogeneous Electron Gas

3. Jellium-with-gap model applied to semilocal kinetic functionals

4. Semilocal Pauli–Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

5. Methods to generate reference total and Pauli kinetic potentials

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