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Improvement of Uncoupled Hartree—Fock Expectation Values for Physical Properties
1.J. O. Hirschfelder, W. Byers Brown, and S. T. Epstein, Advan. Quantum Chem. 1, 255 (1964).
2.A. Dalgarno and A. L. Stewart, Proc. Roy. Soc. (London) A247, 245 (1958).
3.A. Dalgarno, Proc. Roy. Soc. (London) A251, 282 (1959).
4.There are different schemes of uncoupled Hartree‐Fock approximation, which have been discussed by P. W. Langhoff, M. Karplus, and R. P. Hurst, “Approximations to Hartree‐Fock Perturbation Theory” (to be published). Our discussion in this paper is limited to Dalgarno’s uncoupled Hartree‐Fock approximation3 (Approximation “C” of Langhoff et al.) with S(i) defined by Eq. (9).
5.G. G. Hall, Advan. Quantum Chem. 1, 241 (1964), and references given there.
6.L. Brillouin, Actualités Sci. et Ind., Nos. 71, 159 (1933–1934).
7.However, small corrections to uncoupled Hartree‐Fock are probably not of much interest for frequency‐dependent properties because the frequency dependence of the uncoupled approximation is qualitatively incorrect (see, for example, Ref. 4).
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