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An atomic Dirac-Fock-Roothaan program. (English) Zbl 0986.81518

Summary: An atomic Dirac-Fock-Roothaan program is described for generalized average energy of configurations using Gaussian-type basis functions. It can treat three kinds of atomic nuclear models of point charge, uniformly charged sphere, and Gaussian proton-charge distribution. It runs within first memories or uses disk file for intermediate storage of two-electron integrals so that any calculations using basis sets of very large sizes can be performed.

MSC:

81V35 Nuclear physics
81V45 Atomic physics
81-08 Computational methods for problems pertaining to quantum theory

Software:

GRASP92
PDFBibTeX XMLCite
Full Text: DOI

References:

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