BERTHA: Implementation of a four-component Dirac–Kohn–Sham relativistic framework-Reference-Cited by-同舟云学术

BERTHA: Implementation of a four-component Dirac–Kohn–Sham relativistic framework

Published:2020-04-30 Issue:16 Volume:152 Page:164118
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Belpassi Leonardo¹^ORCID,De Santis Matteo²^ORCID,Quiney Harry M.³,Tarantelli Francesco²^ORCID,Storchi Loriano⁴^ORCID

Affiliation:

1. Istituto di Scienze e Tecnologie Chimiche (SCITEC), Consiglio Nazionale delle Ricerche c/o Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy

2. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy

3. ARC Centre of Excellence for Advanced Molecular Imaging, School of Physics, The University of Melbourne, 3010 Victoria, Australia

4. Dipartimento di Farmacia, Università degli Studi ‘G. D’Annunzio’, Via dei Vestini 31, 66100 Chieti, Italy

Funder

EC Research Innovation Action

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0002831

Reference84 articles.

1. P. Pyykkö, Relativistic Quantum Chemistry (Academic Press, 1978), pp. 353–409.

2. Relativity and the periodic system of elements

3. Relativistic effects on chemical properties

4. Relativistic effects in gold chemistry. I. Diatomic gold compounds

5. Relativistic Effects in Chemistry

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