Wave functions in momentum space. I. Iterative computation for the helium atom in Hartree–Fock approximation
- 15 December 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (12) , 5782-5784
- https://doi.org/10.1063/1.442016
Abstract
The possibilities of obtaining wave functions for atoms and molecules by iteration of equations in momentum space have been examined. Using a first-iterate orbital some approximations to the Hartree–Fock ground state energy have been calculated. The accuracy of these results is strongly dependent on a variation of the parameters that characterize the orbital. The second-iterate orbital contains logarithmic and arctangent functions and there appear unfamiliar special functions in the third- and higher-iterate orbitals.Keywords
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