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Unrestricted Hartree-Fock functions for the carbon and fluorine atoms

โœ Scribed by David B. Cook


Publisher
Springer
Year
1981
Tongue
English
Weight
422 KB
Volume
58
Category
Article
ISSN
1432-2234

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Hartreeโ€“Fock wave functions with a modif
โœ E. Buendรญa; F. J. Gรกlvez; A. Sarsa ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 139 KB ๐Ÿ‘ 1 views

We have solved the atomic HartreeแސFock equations by using the algebraic approach, expanding the single-particle radial wave function in terms of a ลฝ . modified Gaussian type orbitals GTOs basis. Several atomic properties such as Kato's cusp condition for the electron density or the correct asymptoti