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A comparison of the ethylene ionization potentials obtained by the Green's function method and from CI calculations

โœ Scribed by Karl-Heinz Thunemann; Robert J. Buenker; Sigrid D. Peyerimhoff; Shing-Kuo Shih

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
454 KB
Volume
35
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES

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Green-function method is empXoyed, within the framework of the CNDU approu-imation to the zero-order wavefunction, to c!dculate the photoelectron spectrum of the CF4 and SiF4 molecules, The agreement between theoretical and euperimental ionization potentials is quite good aitd a sensible ~prove~ent

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The valence and core ionization potentials of Ne, Mg, and Hz0 have been calculated by using the one-body Green's function. The self-energy part WBS taken to include the second order and the w2dcpcndent terms, third order ita the perturbation.