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Calculation of the dimension of full configuration interaction spaces: application to the determination of spectroscopic terms

✍ Scribed by A. Torre; L. Lain; J. Millan

Book ID
113258019
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
332 KB
Volume
287
Category
Article
ISSN
0166-1280

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## Abstract The all‐electron full configuration interaction (FCI) vertical excitation energies for some low lying valence and Rydberg excited states of BeH are presented in this article. A basis set of valence atomic natural orbitals has been augmented with a series of Rydberg orbitals that have be