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Electronic structure of potassium clusters (K9, K15, K27) by the SCF X α(LSD) SW method

✍ Scribed by A. Pellegatti; B.N. McMaster; D.R. Salahub

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
585 KB
Volume
75
Category
Article
ISSN
0301-0104

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The electronic structure of the azide ion is investigated using the SCF Xo scattered wave method. C&~lated ionization energies are compared with values determined by eIectron spectroscopy. Transition state calculations for nS -F ?;z, a0 and og -lr: single electron transitions yield excitation encrgi