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Program for calculating the vertical ionization potentials of atoms and molecules by the Green's function method

✍ Scribed by V. G. Zakshevskii; O. P. Charkin

Publisher
SP MAIK Nauka/Interperiodica
Year
1979
Tongue
English
Weight
219 KB
Volume
20
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

Calculations of vertical ionization pote
Calculations of vertical ionization potentials of CF4 and SiF4 by the green-function method
✍ P. Lazzeretti; R. Zanasi πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 380 KB

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

Calculation of vertical ionization poten
Calculation of vertical ionization potentials using the one-body green's function: Ne, Mg and H2O
✍ H. Yamakawa; T. Aoyama; H. Ichikawa πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 419 KB

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.