Break-down of the molecular-orbital picture of ionization: CS, PN and P2
- 14 June 1978
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 11 (11) , 1901-1915
- https://doi.org/10.1088/0022-3700/11/11/007
Abstract
Ionisation potentials and spectral intensities for photoionisation of the valence electrons of CS, PN and P2 have been calculated applying the so-called 2ph-TDA method (see ibid., vol.11, no.11, p.1889, 1978). Strong correlation effects are found for the two inner-most valence orbitals of all these species, showing that the independent-particle picture of ionisation fails completely. As far as available the results are compared to experimental data and to Green's function calculations previously performed for the outer valence orbitals.Keywords
This publication has 19 references indexed in Scilit:
- Complete breakdown of the quasiparticle picture for inner valence electronsJournal of Physics B: Atomic and Molecular Physics, 1977
- Vibrational structure in diatomic photoelectron spectra: Application to CS, PN, SiO and P2Journal of Electron Spectroscopy and Related Phenomena, 1977
- On the photoelectron spectrum of PNJournal of Electron Spectroscopy and Related Phenomena, 1977
- Theoretical Aspects of Ionization Potentials and Photoelectron Spectroscopy: A Green's Function ApproachAdvances in Chemical Physics, 1977
- Vacuum ultraviolet photoelectron spectrum of the PN(X1Σ+) moleculeJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1977
- Calculation of the HeI photoelectron spectrum of CS including satellite linesChemical Physics Letters, 1976
- HeI photoelectron spectrum of the P2(X 1? + g ) moleculeJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1976
- The absorption spectrum of diatomic phosphorus between 1370 and 600 ÅProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1975
- One-body Green's function for atoms and molecules: theory and applicationJournal of Physics B: Atomic and Molecular Physics, 1975
- Improved calculations of ionization potentials of closed-shell moleculesMolecular Physics, 1973