Relativistic Hartree–Fock–Roothaan wavefunctions for atoms-Reference-Cited by-同舟云学术

Relativistic Hartree–Fock–Roothaan wavefunctions for atoms

Published:1985-07-01 Issue:7 Volume:63 Page:1550-1552
ISSN:0008-4042
Container-title:Canadian Journal of Chemistry
language:en
Short-container-title:Can. J. Chem.

Author:

Kagawa Takashi,Malli Gulzari

Abstract

Relativistic Hartree–Fock–Roothaan (RHFR) wavefunctions have been calculated for a large number of atoms up to radon (Z = 86) under the point nucleus approximation using STO's as basis functions. The calculated total as well as orbital energies are in very good agreement with the corresponding results obtained by the numerical integration method.

Publisher

Canadian Science Publishing

Subject

Organic Chemistry,General Chemistry,Catalysis

Link

http://www.nrcresearchpress.com/doi/pdf/10.1139/v85-263

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