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An MC SCF calculation for the ammonia molecule

✍ Scribed by P. Dejardin; E. Kochanski; A. Veillard

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
511 KB
Volume
15
Category
Article
ISSN
0009-2614

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✦ Synopsis

A multi-configuration scl_f-consistent field wavefunction is reported for ammonia The correlation energy nssociated with a 51 configurations wavefunction is 0.071 au nnd is analyzed in terms of various contributions.

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