期刊
JOURNAL OF CHEMICAL PHYSICS
卷 119, 期 14, 页码 7087-7093出版社
AMER INST PHYSICS
DOI: 10.1063/1.1602693
关键词
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By using perturbation theory, an expression is derived for the difference between the Hartree-Fock (HF) and optimized effective potential (OEP) exchange-only ground-state energies. With this expression and a model three-electron system, we provide the first formal proof of a specific example where the HF and OEP exchange-only ground-state energies are different. We also give a constrained-search variational argument that the two energies are generally, nevertheless, expected to be very close, consistent with known numerical results. (C) 2003 American Institute of Physics.
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