Modified bielectronic potential method for correlation energy
(1979) International Journal of Quantum Chemistry — Vol. 15, n° 3, p. 293-309 (1979)
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- Abstract
- Lowdin's correlation potential formalism (1969) has been used to define a modified bielectronic potential, allowing one to calculate the exact electronic energy, given the Hartree-Fock wave function. This modified potential is in principle peculiar to each electronic system, and is defined by a correlation factor depending on the interelectronic distance /b r//sub 12/. The explicit calculation of the correlation factor has been performed for some two-electron atoms, in the 1/sup 1//b S/ and 2/sup 3//b S/ states, and for the beryllium atom. Examination of the results so obtained leads the author to conclude in favor of the nonexistence of a universal modified bielectronic potential.
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Ruelle, J.-L. (1979). Modified bielectronic potential method for correlation energy. International Journal of Quantum Chemistry, 15(3), 293-309. https://hdl.handle.net/2078.5/42484 (Original work published 1979)