EVALUATION OF EFFECTIVE OPERATORS FOR CONFIGURATION INTERACTIONReport as inadecuate




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Abstract : Corrections to the Hartree-Fock Slater integrals due to electrostatic configuration interaction are calculated for the 4 f2 configuration of Pr IV using perturbation theory and graphical methods. The Trees parameter α and the additional parameters β and γ are also calculated. To second order the interaction with 27 bound configurations and 8 single particle excitations to the continuum give F2 = 88 963,14, F4 = 61 000.08, F6 = 33 353,80. This may be compared with empirical values F2 = 72 549, F4 = 53 874, F6 = 35 973, α = 24, β = 586, γ = 728.





Author: J. Morrison K. Rajnak M. Wilson

Source: https://hal.archives-ouvertes.fr/



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