Compatibility restrictions in the theory of antiresonance line shapes
- 1 January 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (1) , 639-649
- https://doi.org/10.1063/1.438954
Abstract
The quasicontinuum correlation parameters that occur in the theory of antiresonance line shapes and radiationless decay, by virtue of being defined in terms of averages over the same set of quasicontinuum states, are shown to be restricted by conditions of mutual compatibility. These restrictions are analyzed in geometrical terms and some of their consequences are examined. A new correlation parameter λ is introduced and shown to qualitatively measure in many ways the overall consequences of correlations among the quasicontinuum couplings for many sparsely spaced states. A method is given for parametrizing the line shape and radiationless decay theory so as to satisfy the compatibility restrictions implicitly, thereby facilitating the analysis of experimental data. The application of the compatibility relations to the analysis of some recently reported line shape studies for molecules and solids is then discussed, including recent work on the optical absorption spectrum of boron‐doped silicon.Keywords
This publication has 14 references indexed in Scilit:
- Resonant interactions of optical phonons with acceptor continuum states in siliconPhysical Review B, 1977
- Interaction of many discrete states with many continuaPhysical Review B, 1977
- Line shapes in electronic molecular spectraChemical Physics, 1974
- The vacuum ultraviolet spectrum of naphthalene vapour for photon energies from 5 to 30 eVChemical Physics Letters, 1972
- Antiresonances in the Rydberg spectrum of naphthalene. A new analysisChemical Physics Letters, 1972
- Interference Effects in the Rydberg Spectra of Naphthalene and BenzeneThe Journal of Chemical Physics, 1972
- Interference Effects in the Optical Spectrum of Large MoleculesThe Journal of Chemical Physics, 1969
- Configuration Interaction Theory. Effects of Overlapping ResonancesPhysical Review B, 1968
- Absorption spectra in the vacuum ultraviolet and the ionization potentials of naphthalene and naphthalene-d8 moleculesAustralian Journal of Chemistry, 1968
- Effects of Configuration Interaction on Intensities and Phase ShiftsPhysical Review B, 1961