Electron correlation and calculation of electron spin resonance hyperfine coupling constants

fsIn Part I, the theoretical basis for the calculation of electron spin resonance hyperfine coupling constants is outlined. The esr coupling constants are related to the wavefunction of a radical. The methods used in the calculation of the wavefunction are the Restricted Hartree Fock(RHF) method, th...

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Bibliographic Details
Main Author: Platt, E.
Published: University of Leicester 1976
Subjects:
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.469095