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Independent-pair wave functions for the three- and four-body nuclei

โœ Scribed by R.T. Folk


Publisher
Elsevier Science
Year
1968
Tongue
English
Weight
847 KB
Volume
122
Category
Article
ISSN
0375-9474

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Three-center nuclear attraction and four-center two-electron Coulomb integrals over Slater-type orbitals are required for ab initio and density functional theory (DFT) molecular structure calculations. They occur in many millions of terms, even for small molecules and require rapid and accurate eval