Features of Nearly Spherical Electronic Systems

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Properties of electronic systems are a principal concern for quantum chemical theory and calculations and are succinctly expressed in terms of various Green functions, also termed propagators or response functions. Spherical symmetry offers simplifications and analytical options that will be explored in this chapter. A proper many-electron theory in the relativistic form is lacking, but the use of the Dirac equation and four-component functions provides certain advantages in the formulation of the electron propagator. Energy functionals are developed for an inhomogeneous system with spherical symmetry. It is also shown how approximate response functions can be obtained for electric and magnetic perturbations.

OriginalsprogEngelsk
TitelADVANCES IN QUANTUM CHEMISTRY: RATNER VOLUME
RedaktørerSabin, EJ Brandas
Antal sider24
ForlagElsevier
Udgivelsesår2017
Sider243-266
Kapitel9
ISBN (trykt)978-0-12-812888-6
DOI
StatusUdgivet - 2017
SerietitelAdvances in Quantum Chemistry
Vol/bind75
ISSN0065-3276

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