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A new approach in atomic configuration interaction calculations

D J Newman and C D Taylor

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A new type of potential function is derived from the atomic Hartree-Fock self- consistent potential which has almost identical occupied orbitals, but an adjustable set of unoccupied bound orbitals. Comparisons are made between the properties of this potential and the Hartree-Fock potential for trivalent praesodymium. It is shown that the use of the new potential introduces considerable simplifications into atomic configuration interaction calculations.


PACS

31.15.vj Electron correlation calculations for atoms and ions: excited states

31.15.xr Self-consistent-field methods

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 12 (December 1972)



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