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Second-order correlation energy of the neon atom

โœ Scribed by K. Jankowski; P. Malinowski

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
381 KB
Volume
54
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The wcond-order energy for Ne is computed starting with the symmetric sum of oneclectron Hartree-Fock operators as the Teroth-ordcr hamiltonian. The variational-perturbation pair functions of dcfmite orbital and spin symmetry are expressed in the form of partial wave expansions. Special attention is paid to the evaluation of the sp and p2 contributions. An UPPW bound of -0.3808 au is established for the second-order correlation energy in neon,which represents 97.9% of __ the "experimental" correIation energy.

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