Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory-Reference-Cited by-同舟云学术

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Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory

Published:2019-08-21 Issue:7 Volume:151 Page:074107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Desmarais Jacques K.¹²³^ORCID,Flament Jean-Pierre⁴^ORCID,Erba Alessandro¹^ORCID

Affiliation:

1. Dipartimento di Chimica, Università di Torino, Via Giuria 5, 10125 Torino, Italy

2. Department of Geological Sciences, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5E2, Canada

3. Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5E2, Canada

4. Université de Lille, CNRS, UMR 8523 - PhLAM - Physique des Lasers Atomes et Molécules, 59000 Lille, France

Funder

national science and engineering research council of the government of canada

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5114901

Reference68 articles.

1. Introduction to Relativistic Quantum Chemistry

2. Relativistic Effects in Chemistry: More Common Than You Thought

3. Relativistic Hamiltonians for Chemistry: A Primer

4. A two-step uncontracted determinantal effective Hamiltonian-based SO–CI method

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