Finite-perturbation SCF valence-shell ca
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N.S. Hush; M.L. Williams
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Article
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1970
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Elsevier Science
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English
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A finite-perturbation method is used for obtaining approximate valence-shell eigenfunctions of molccules interacting with uniform static electric fields within the frame\vork of unrestricted oper;-shell CNDO/II theory. For a series of axially symmetric molecules, components of the polarizability ten