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Ionization potential and asymptotic form of first-order density matrix for atoms and molecules

✍ Scribed by N.H. March


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
153 KB
Volume
84
Category
Article
ISSN
0375-9601

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## Abstract This article presents theoretical calculations on bond energies for the first‐row diatomics C~2~, CN, CO, CF, N~2~, NO, NF, O~2~, FO, and F~2~, which vary in bond order from one to three. The atomic‐centered basis functions are systematically augmented with bond functions (BFs), which r