Electron correlation in Hooke’s law atom in the high-density limit | Zendy

Peter M. W. Gill | Zendy; D.P. O'Neill | Zendy

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Electron correlation in Hooke’s law atom in the high-density limit

Author(s) -

Peter M. W. Gill,

D.P. O'Neill

Publication year - 2005

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1862237

Subject(s) - limit (mathematics) , hartree–fock method , atom (system on chip) , singlet state , quantum mechanics , physics , electronic correlation , perturbation theory (quantum mechanics) , atomic physics , mathematical physics , electron , mathematics , mathematical analysis , computer science , excited state , embedded system

Closed-form expressions for the first three terms in the perturbation expansion of the exact energy and Hartree-Fock energy of the lowest singlet and triplet states of the Hooke's law atom are found. These yield elementary formulas for the exact correlation energies (-49.7028 and -5.807 65 mE(h)) of the two states in the high-density limit and lead to a pair of necessary conditions on the exact correlation kernel G(w) in Hartree-Fock-Wigner theory.

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