Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas–Kroll approximation-Reference-Cited by-同舟云学术

Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas–Kroll approximation

Published:2001-09-08 Issue:10 Volume:115 Page:4463-4472
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Tsuchiya Takashi,Abe Minori,Nakajima Takahito,Hirao Kimihiko

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1390515

Reference76 articles.

1. Basis sets for molecular calculations

2. Basis set selection for molecular calculations

3. Basis Sets

4. General contraction of Gaussian basis sets. I. Atomic natural orbitals for first‐ and second‐row atoms

5. General contraction of Gaussian basis sets. I. Atomic natural orbitals for first‐ and second‐row atoms

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