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Parallel computing in quantum chemistry — message passing and beyond for a general ab initio program system

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High-Performance Computing and Networking (HPCN-Europe 1994)

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References

  1. E. Clementi, in Modern Techniques in Computational Chemistry, chap. 1, E. Clementi, Ed., Escom Science Publishers, 1990; D. Folsom, in Modern Techniques in Computational Chemistry, chap. 27, E. Clementi, Ed., Escom Science Publishers, 1990

    Google Scholar 

  2. M. Dupuis and J. D. Watts, Theor. Chim. Acta 71 (1987) 91

    Google Scholar 

  3. R. J. Harrison and R. A. Kendall, Theor. Chim. Acta 79 (1991) 337

    Google Scholar 

  4. H. P. Lüthi, J. E. Mertz, M. W. Feyereisen and J. E. Almlöf, J. Comp. Chem. 13 (1992) 160

    Google Scholar 

  5. S. Kindermann, E. Michel and P. Otto, J. Comp. Chem. 13 (1992) 414

    Google Scholar 

  6. M. W. Feyereisen, R. A. Kendall, J. Nichols, D. Dame and J. T. Golab, J. Comp. Chem. 14 (1993) 818

    Google Scholar 

  7. S. Brode, H. Horn, M. Ehrig, D. Moldrup, J. E. Rice and R. Ahlrichs, J. Comp. Chem. 14 (1993) 1142

    Google Scholar 

  8. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis and J. A. Montgomery, Jr., J. Comp. Chem. 14 (1993) 1347

    Google Scholar 

  9. M. E. Colvin, C. L. Janssen, R. A. Whiteside and C. H. Tong, Theor. Chim. Acta 84 (1993) 301

    Google Scholar 

  10. L. G. M. Petterson and T. Faxen, Theor. Chim. Acta 85 (1993) 345

    Google Scholar 

  11. A. Burkhardt, U. Wedig and H. G. v. Schnering, Theor. Chim. Acta 86 (1993) 497

    Google Scholar 

  12. J. D. Watts and M. Dupuis, J. Comp. Chemistry 9 (1988) 158

    Google Scholar 

  13. A. P. Rendell, T. J. Lee and R. Lindh, Chem. Phys. Lett. 194 (1992) 84

    Google Scholar 

  14. A. P. Rendell, M. F. Guest, R. A. Kendall. J. Comp. Chem. 14 (1993) 1429

    Google Scholar 

  15. R. J. Harrison and E. A. Stahlberg, J. Parallel and Distributed Computing (1992)

    Google Scholar 

  16. G. L. Bendazzoli and S. Evangelisti, J. Chem. Phys. 98 (1993) 3141

    Google Scholar 

  17. M. E. Colvin, R. A. Whiteside and H. F. Schaefer III in Methods in Computational Chemistry, vol. 3, S. Wilson, Ed., Plenum, N.Y., p. 167

    Google Scholar 

  18. R. A. Kendall, Int. J. Quantum Chem. S27 (1993) 769

    Google Scholar 

  19. M. Schüler, T. Kovar, H. Lischka, R. Shepard and R. J. Harrison, Theor. Chim. Acta 84 (1993) 489

    Google Scholar 

  20. H. Lischka, R. Shepard, F. Brown, and I. Shavitt, Int. J. Quantum Chem. S15 (1981) 91

    Google Scholar 

  21. R. Shepard, I. Shavitt, R. M. Pitzer, D. C. Comeau, M. Pepper, H. Lischka, P. G. Szalay, R. Ahlrichs, F. B. Brown, J. G. Zhao, Int. J. Quantum Chem. S22 (1988) 149

    Google Scholar 

  22. I. Shavitt, in Modern Theoretical Chemistry, vol. 3, H. F. Schaefer III, Ed., Plenum 1977, p. 189

    Google Scholar 

  23. E. R. Davidson, J Comp Phys 17 (1975) 84

    Google Scholar 

  24. J. J. Dongarra, J. DuCroz, S. Hammerling and R. Hanson, ACM Trans. on Math. Soft. 14 (1988) 1

    Google Scholar 

  25. J. J. Dongarra, J. DuCroz, I. Duff and S. Hammerling, ACM Trans. on Math. Soft. 16 (1990) 1

    Google Scholar 

  26. R. J. Harrison, Intern. J. Quantum Chem. 40 (1991) 847

    Google Scholar 

  27. R. J. Harrison, Theor. Chim. Acta 84 (1993) 363 and unpublished further work

    Google Scholar 

  28. T. Kovar and H. Lischka, unpublished results

    Google Scholar 

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Wolfgang Gentzsch Uwe Harms

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© 1994 Springer-Verlag Berlin Heidelberg

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Lischka, H., Dachsel, H., Shepard, R., Harrison, R.J. (1994). Parallel computing in quantum chemistry — message passing and beyond for a general ab initio program system. In: Gentzsch, W., Harms, U. (eds) High-Performance Computing and Networking. HPCN-Europe 1994. Lecture Notes in Computer Science, vol 796. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0020373

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  • DOI: https://doi.org/10.1007/BFb0020373

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  • Print ISBN: 978-3-540-57980-9

  • Online ISBN: 978-3-540-48406-6

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