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Unrestricted Hartree-Fock functions for the carbon and fluorine atoms (1981)

Cook, David B.

Springer

Theoretical chemistry accounts 58 (1981), S. 155-162

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ISSN: 1432-2234

Keywords: Hartree-Fock ; Carbon ; Fluorine

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract An attempt to solve the Hartree-Fock equations for the (non-relativistic) carbon and fluorine atoms is reported. No constraints are placed on the minimisation of the parametrised energy function arising from the use of the finite expansion method within the single determinant model of atomic electronic structure except those implicit in the expansion method itself.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00550429

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