Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark-Reference-Cited by-同舟云学术

Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark

Published:2024-01-05 Issue:2 Volume:20 Page:728-737
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Brakestad Anders¹²,Jensen Stig Rune¹²^ORCID,Tantardini Christian¹²³^ORCID,Pitteloud Quentin¹²,Wind Peter¹²^ORCID,Užulis Jānis⁴,Gulans Andris⁴,Hopmann Kathrin Helen²^ORCID,Frediani Luca¹²^ORCID

Affiliation:

1. Hylleraas Centre for Quantum Molecular Sciences, UiT The Arctic University of Norway, Tromsø 9037, Norway

2. Department of Chemistry, UiT The Arctic University of Norway, Tromsø 9037, Norway

3. Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005, United States

4. Department of Physics, University of Latvia, Jelgavas iela 3, Riga, Latvia 1004, Latvia

Funder

Norges Forskningsr?d

European Regional Development Fund

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01095

Reference104 articles.

1. Dirac, P. A. M. Theory of Electrons and Positrons, Nobel Lecture; Scientific Research Publishing Inc. 1933; pp 320–325.

2. Relativistic effects and the chemistry of gold

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

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