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Equivalence-restricted open-shell SCF theory

✍ Scribed by Charles F. Jackels; Ernest R. Davidson

Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
276 KB
Volume
8
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

A method is presented for generating open‐shell equivalence‐restricted SCF orbitals in high‐symmetry situations using Roothaan–Hartree–Fock programs which are adapted for lower symmetry.

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