Boosting the OEP2-sc method with spin-component scaling-Reference-Cited by-同舟云学术

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Boosting the OEP2-sc method with spin-component scaling

Published:2022-02-15 Issue:19-20 Volume:120 Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Siecińska Sylwia¹,Śmiga Szymon¹,Grabowski Ireneusz¹,Della Sala Fabio²³,Fabiano Eduardo²³

Affiliation:

1. Faculty of Physics, Astronomy and Informatics, Institute of Physics, Nicolaus Copernicus University in Toruń, Toruń, Poland

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

3. Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia, Arnesano, Italy

Funder

Polish National Science Center

Narodowa Agencja Wymiany Akademickiej

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2022.2037771

Reference83 articles.

1. E. Engel, in A Primer in Density Functional Theory, edited by C. Fiolhais, F. Nogueira and M.A. Marques (Springer, Berlin, 2003).

2. Orbital- and state-dependent functionals in density-functional theory

3. Orbital-dependent density functionals: Theory and applications

4. F. Della Sala, in Chemical Modelling, Vol. 7, edited by M. Springborg (Royal Society of Chemistry, London, 2011), pp. 115–161.

5. Molecular tests of the random phase approximation to the exchange-correlation energy functional

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1. Semilocal Meta-GGA Exchange–Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations;The Journal of Physical Chemistry A;2023-10-09

2. Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole;The Journal of Chemical Physics;2022-07-14

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