Minimum atomic parameter basis sets for elements 1–54 in a Hartree–Fock setting-Reference-Cited by-同舟云学术

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Minimum atomic parameter basis sets for elements 1–54 in a Hartree–Fock setting

Published:2021-05-14 Issue:16 Volume:121 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Reinhardt Peter¹^ORCID,Popov Ilya²,Tchougréeff Andrei L.²³

Affiliation:

1. Laboratoire de Chimie Théorique Sorbonne Université et CNRS UMR7616 Paris France

2. A.N. Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences Moscow Russia

3. Institut für Anorganische Chemie, RWTH Aachen Aachen Germany

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26687

Reference29 articles.

1. Molecular Electronic-Structure Theory

2. Atomic orbital basis sets

3. Basis set selection for molecular calculations

4. Ab initio molecular simulations with numeric atom-centered orbitals

5. a) B. Civalleri D. Presti R. Dovesi A. Savin Sp. Per. Rep. Chem. Mod.: Appl. Theory2012 9 168; b) P. Pernot B. Civalleri D. Presti A. Savin J. Phys. Chem. A2015 119 5288

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Exponential type orbitals with hyperbolic cosine function basis sets for isoelectronic series of the atoms Be to Ne;Zeitschrift für Naturforschung A;2022-10-12

2. Atomic Orbital Bases of Bunge and Koga Studied by Frobenius Products with Moscow–Aachen–Paris (MAP) Orbitals;Russian Journal of Physical Chemistry A;2022-09

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