Manifestations of Nonlocal Exchange, Correlation, and Dynamic Effects in X-Ray Scattering

M. Jung; R. W. Dunford; D. S. Gemmell; E. P. Kanter; B. Krässig; T. W. LeBrun; S. H. Southworth; L. Young; J. P. J. Carney; L. LaJohn; R. H. Pratt; P. M. Bergstrom, Jr

doi:10.1103/PhysRevLett.81.1596

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Manifestations of Nonlocal Exchange, Correlation, and Dynamic Effects in X-Ray Scattering

M. Jung, R. W. Dunford, D. S. Gemmell, E. P. Kanter, B. Krässig, T. W. LeBrun, S. H. Southworth, and L. Young

J. P. J. Carney, L. LaJohn, and R. H. Pratt

P. M. Bergstrom, Jr.

Physics Division, Argonne National Laboratory, Argonne, Illinois 60439

Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260

N Division, Lawrence Livermore National Laboratory, Livermore, California 94551

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Phys. Rev. Lett. 81, 1596 – Published 24 August, 1998

DOI: https://doi.org/10.1103/PhysRevLett.81.1596

Abstract

We report precise measurements of differential x-ray scattering cross sections in Ne and He from 11–22 keV and develop a method for obtaining predictions of comparable accuracy ( $1 %$ ). The measurement of ratios (total scattering in Ne to He and Compton to Rayleigh scattering in Ne) facilitates comparison to theories. We find evidence for the need to include nonlocal exchange, electron correlation, and dynamic effects for an accurate description at low $Z$ and conclude that no single current theory is sufficient.

References (25)

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L. Kissel, B. Zhou, S. C. Roy, S. K. Sen Gupta, and R. H. Pratt, Acta Crystallogr. Sect. A 51, 271 (1995).
T. Suric, P. M. Bergstrom, Jr., K. Pisk, and R. H. Pratt, Phys. Rev. Lett. 67, 189 (1991); P. M. Bergstrom, Jr., T. Suric, K. Pisk, and R. H. Pratt, Phys. Rev. A 48, 1134 (1993).
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Results within the MFF $+$ ASF approximation for Rayleigh scattering are available at “http://www-phys.llnl.gov/V_Div/scattering/elastic.html”. $S - matrix$ results are also available on a fixed energy grid.
M. Gavrila, Phys. Rev. A 6, 1348 (1972); ibid.6, 1360 (1972); Rev. Roum. Phys. 19, 473 (1974); A. Costescu and M. Gavrila, 18, 493 (1973).
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[c1] A. H. Compton, Phys. Rev. 21, 483 (1923).

[c2] J. D. Watson and F. H. C. Crick, Nature (London) 171, 737 (1953).

[c3] B. Krässig et al., Phys. Rev. Lett. 75, 4736 (1995).

[c4] L. Spielberger et al., Phys. Rev. Lett. 76, 4685 (1996).

[c5] G. E. Brown, R. E. Peierls, and J. B. Woodward, Proc. R. Soc. London A 227, 51 (1955); W. R. Johnson and F. D. Feiock, Phys. Rev. 168, 22 (1968); L. Kissel, R. H. Pratt, and S. C. Roy, Phys. Rev. A 22, 1970 (1980).

[c6] P. P. Kane, L. Kissel, R. H. Pratt, and S. C. Roy, Phys. Rep. 140, 75 (1986).

[c7] L. Kissel, B. Zhou, S. C. Roy, S. K. Sen Gupta, and R. H. Pratt, Acta Crystallogr. Sect. A 51, 271 (1995).

[c8] T. Suric, P. M. Bergstrom, Jr., K. Pisk, and R. H. Pratt, Phys. Rev. Lett. 67, 189 (1991); P. M. Bergstrom, Jr., T. Suric, K. Pisk, and R. H. Pratt, Phys. Rev. A 48, 1134 (1993).

[c9] H. P. Hanson, F. Herman, J. D. Lea, and S. Skillman, Acta Crystallogr. 17, 1040 (1964).

[c10] F. Herman and S. Skillman, Atomic Structure Calculations (Prentice-Hall, Englewood Cliffs, NJ, 1963).

[c11] D. Schaupp et al., J. Phys. Chem. Ref. Data 12, 467 (1983).

[c12] J. H. Hubbell et al., J. Phys. Chem. Ref. Data 4, 471 (1975).

[c13] J. H. Hubbell and I. Overbo, J. Phys. Chem. Ref. Data 8, 69 (1979).

[c14] J. Wang, R. O. Esquivel, V. H. Smith, Jr., and C. F. Bunge, Phys. Rev. A 51, 3812 (1995).

[c15] E. M. A. Peixoto, C. F. Bunge, and R. A. Bonham, Phys. Rev. 181, 322 (1969).

[c16] H. Meyer, T. Müller, and A. Schweig, Chem. Phys. 191, 213 (1995); Acta Crystallogr. Sect. A 51, 171 (1995).

[c17] E. O. Wollan, Phys. Rev. 37, 862 (1931).

[c18] D. R. Chipman and L. D. Jennings, Phys. Rev. 132, 728 (1963).

[c19] G. E. Ice, M. H. Chen, and B. Crasemann, Phys. Rev. A 17, 650 (1978).

[c20] F. Smend and H. Czerwinski, Z. Phys. D 1, 139 (1986).

[c21] R. Ali et al., Phys. Rev. A 55, 994 (1997).

[c22] F. Biggs, L. B. Mendelsohn, and J. B. Mann, At. Data Nucl. Data Tables 16, 201 (1975).

[c23] Results within the MFF $+$ ASF approximation for Rayleigh scattering are available at “http://www-phys.llnl.gov/V_Div/scattering/elastic.html”. $S - matrix$ results are also available on a fixed energy grid.

[c24] M. Gavrila, Phys. Rev. A 6, 1348 (1972); ibid.6, 1360 (1972); Rev. Roum. Phys. 19, 473 (1974); A. Costescu and M. Gavrila, 18, 493 (1973).

[c25] P. Eisenberger and P. M. Platzman, Phys. Rev. A 2, 415 (1970); B. J. Bloch and L. B. Mendelsohn, 9, 129 (1974); ibid.12, 551 (1975).

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Manifestations of Nonlocal Exchange, Correlation, and Dynamic Effects in X-Ray Scattering

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