Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level-Reference-Cited by-同舟云学术

Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level

Published:2023-06-16 Issue:13 Volume:19 Page:3982-3995
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mester Dávid¹²³^ORCID,Kállay Mihály¹²³^ORCID

Affiliation:

1. Department of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary

2. ELKH-BME Quantum Chemistry Research Group, Műegyetem rkp. 3., H-1111 Budapest, Hungary

3. MTA-BME Lendület Quantum Chemistry Research Group, Műegyetem rkp. 3., H-1111 Budapest, Hungary

Funder

Nemzeti Kutat?si, Fejleszt?si ?s Innovaci?s Alap

Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00363

Reference125 articles.

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