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Modified bielectronic potential method for correlation energy

✍ Scribed by Jean-Louis Ruelle


Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
735 KB
Volume
15
Category
Article
ISSN
0020-7608

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✦ Synopsis


Abstract

LΓΆwdin's correlation potential formalism 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 r~2~. The explicit calculation of the correlation factor has been performed for some two‐electron atoms, in the 1^1^S and 2^3^S states, and for the beryllium atom. Examination of the results so obtained leads us to conclude in favor of the nonexistence of a universal modified bielectronic potential.


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