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Spectroscopic constants and potential energy curves of PF

โœ Scribed by Lida Latifzadeh; K. Balasubramanian

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
527 KB
Volume
243
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Spectroscopic constants of low-lying bound electronic states and potential energy curves of 19 electronic states of PF arising from the valence dissociation limits are computed using the complete active space self-consistent field (CASSCF) followed by first-and second-order configuration interaction (FOCI, SOCI) methods, which included up to 0.9 million configurations.

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