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There is considerable disagreement as to whether exact conditions, or exact energies form a more universal data set. We note that while the extent of validity of a bound or inequality may be large, it is not so tight a condition as an exact energy. Thus, we feel that the two approaches should be considered as complementary.
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For a general overview of MP2 theory, see A. Szabo and N. Ostlund, Modern Quantum Chemistry (McGraw-Hill, New York, 1989). In the high density coordinate scaling limit, MP2 theory becomes an exact model of correlation in some systems: see for example, A. Görling and M. Levy, Phys. Rev. B 47, 13 105 (1993).
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Cambridge, UK A suite of quantum chemistry programs developed with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone, M.-D. Su, and D. J. Tozer
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CADPAC: Cambridge Analytical Derivatives Package Issue 6.5 Cambridge, UK (1998) A suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, N. Koga, K. E. Laidig, P. E. Maslen, C. W. Murray, J. E. Rice, J. Sanz, E. D. Simandiras, A. J. Stone, M.-D. Su, and D. J. Tozer.
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1/3 dependence, but we consider this to be sufficiently weak
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1/3 dependence, but we consider this to be sufficiently weak.
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42
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G. E. Scuseria (private communication).
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Scuseria, G.E.1
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β grid points
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β grid points.
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