Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals-Reference-Cited by-同舟云学术

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Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals

Published:2024-07-23 Issue:4 Volume:110 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Joosten Marc¹^ORCID,Repisky Michal¹²^ORCID,Kadek Marius¹^ORCID,Pyykkö Pekka³^ORCID,Ruud Kenneth¹⁴^ORCID

Affiliation:

1. University of Tromsø—The Arctic University of Norway

2. Comenius University

3. University of Helsinki

4. Norwegian Defence Research Establishment

Funder

Norges Forskningsråd

Horizon 2020

H2020 Marie Skłodowska-Curie Actions

Agentúra na Podporu Výskumu a Vývoja

Vedecká Grantová Agentúra MŠVVaŠ SR a SAV

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.110.045141/fulltext

Reference76 articles.

1. Nuclear quadrupole resonance spectroscopy. General principles

2. Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy

3. Rotational spectroscopy meets theory

4. Year-2017 nuclear quadrupole moments

5. Density functional calculations of nuclear quadrupole coupling constants in the zero-order regular approximation for relativistic effects

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