Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation-Reference-Cited by-同舟云学术

Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation

Published:2019-01-08 Issue:2 Volume:15 Page:1006-1015
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fabiano Eduardo¹²^ORCID,Śmiga Szymon³^ORCID,Giarrusso Sara⁴,Daas Timothy J.⁴,Della Sala Fabio¹²^ORCID,Grabowski Ireneusz³^ORCID,Gori-Giorgi Paola⁴^ORCID

Affiliation:

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

2. Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia, Via Barsanti, I-73010 Arnesano, Italy

3. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun, Poland

4. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands

Funder

Vrije Universiteit Amsterdam

Narodowe Centrum Nauki

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01037

Reference78 articles.

1. Kinetic-energy-density dependent semilocal exchange-correlation functionals