Response Functions and Nonlocal Approximations
10.1016/s0065-3276(08)60597-3
Crossref book-chapter
Elsevier
Advances in Quantum Chemistry (78)
Bibliography

Langreth, D. C., & Vosko, S. H. (1990). Response Functions and Nonlocal Approximations. Density Functional Theory of Many-Fermion Systems, 175–199.

Authors 2
  1. David C. Langreth (first)
  2. S.H. Vosko (additional)
References 57 Referenced 33
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  11. In fact, as discussed in section 5, the high density gradient coefficient for correlation is even larger.
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  15. The coefficient that Sham calculated turns out to be the appropriate one for exchange only, except for the difficulty associated with using a statically screened Coulomb interaction, and then allowing the screening length to become infinite at the end of the calculation. As discussed later in this article, the appropriate coefficient for exchange only turns out to be 10/7 of the original Sham result; this difference is not sufficiently large to change the conclusion that the theoretical coefficient is significantly smaller than the semi-empirical one.
  16. Despite the “10/7” correction to the exchange only coefficient, the Sham coefficient is the correct one to add to the Ma-Brueckner value to obtain the high-density limit of the gradient coefficient for exchange and correlation treated together. However, the correlation coefficient is increased approximately 20%, making the disagreement with experiment even worse. This is discussed in Section 4.
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  31. We generally follow the notation of Pines and Nozières, Ref. /27/.
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  33. We follow the original definition of Hohenberg and Kohn, which has been followed in the literature by a number of authors, including ourselves. Another common definition differs by a factor of two.
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  37. See the note added in proof in Ref. /2/.
  38. Note that we use units where the system quantization volume, the electronic charge, and ħ are unity. The quantity Exc(n)≡nɛxc(n) where ɛxc(n) is the per particle exchange-correlation of the uniform system with electronic density n.
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  42. This is the definition actually used by Langreth and Vosko in Ref. /5/. Eq. (4) in Ref. /5/ has a factor of two error, and should be identical to Eq. (32) of the present article [except that here e2 = 1].
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  44. The following two equations for the total δZ and Z are unaffected by the long range anomaly discussed in Section 5.
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  46. As presented below, the Geldart-Rasolt results for the screened-exchange are still correct, even when the long-range anomalies discussed in Section 5 are accounted for. However, their division of Z betweeen unscreened exchange (5/9) and the screening contribution (—.0714) must be modified because of the recent results.
  47. D. C. Langreth and S. H. Vosko, private communication (1989).
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  52. The calculated coefficient of the discontinuity was not consistent with the 10/7 Zsham value, and has been retracted /50/. It is therefore an open question whether the correct value can be obtained by this method.
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  57. D. C. Langreth and J. P. Perdew, private communication (1989)
Dates
Type When
Created 17 years, 4 months ago (April 12, 2008, 8:11 a.m.)
Deposited 6 years, 8 months ago (Dec. 29, 2018, 9:29 p.m.)
Indexed 1 year, 10 months ago (Oct. 25, 2023, 1:46 a.m.)
Issued 35 years, 7 months ago (Jan. 1, 1990)
Published 35 years, 7 months ago (Jan. 1, 1990)
Published Print 35 years, 7 months ago (Jan. 1, 1990)
Funders 0

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@inbook{Langreth_1990, title={Response Functions and Nonlocal Approximations}, ISSN={0065-3276}, url={http://dx.doi.org/10.1016/s0065-3276(08)60597-3}, DOI={10.1016/s0065-3276(08)60597-3}, booktitle={Density Functional Theory of Many-Fermion Systems}, publisher={Elsevier}, author={Langreth, David C. and Vosko, S.H.}, year={1990}, pages={175–199} }