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- W32114654 abstract "Publisher Summary This chapter describes that the electron propagator is being employed in molecular theory primarily for the calculation of electron binding energies as well as for photoionization cross sections and intensities related to various spectrometric processes. The usefulness of propagator theory is by no means limited to the realm of electron binding energies. All areas of spectrometry can be given a unified treatment and the solution of the equation of motion for the appropriate propagator yields a spectral density function and energy differences from which expectation values and spectra can be obtained. The chapter reviews some of the basic definitions and introduces the notations of the electron propagator. The decoupling problem is stated and general methods of approximation are discussed using a spin orbital basis. The direct pole-residue search is described and implemented. It is discussed for the solution of the working equations to produce the spectral representation of the electron propagator. The emphasis is placed on the calculation of relative intensities of lines in photoelectron spectra." @default.
- W32114654 created "2016-06-24" @default.
- W32114654 creator A5028333790 @default.
- W32114654 creator A5034453926 @default.
- W32114654 date "1981-01-01" @default.
- W32114654 modified "2023-10-18" @default.
- W32114654 title "Molecular Electron Propagator Theory and Calculations" @default.
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- W32114654 doi "https://doi.org/10.1016/s0065-3276(08)60291-9" @default.
- W32114654 hasPublicationYear "1981" @default.
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