A green's function calculation of the lowest ionization potential of some radicals
β Scribed by P. Tomasello; W. Von Niessen; J. Schirmer; L.S. Cederbaum
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 408 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0368-2048
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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.
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