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High performance solution of the complex symmetric eigenproblem

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Abstract

Complex symmetric matrices often appear in quantum physics in the solution methods of partial differential equations such as the Schrödinger equation. We have recently introduced a new fast and efficient direct eigensolver for this problem in [4], and reported its performance in the eigenvalue calculation in [3]. In this paper, we further report on some benchmark tests for computing the full and partial eigenspectrum on a variety of super computing machines, i.e., the Cray J-932, the DEC Alfa 8400, and the SGI Power Challenge 8000 and 10000. We observe that in all cases the new algorithm is much faster than codes available in standard state of the art eigensolver packages such as LAPACK.

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References

  1. E. Anderson, Z. Bai, C. Bischof, J. Demmel, J. Dongarra, J.D. Croz, A. Greenbaum, S. Hammarling, A. McKenney, S. Ostrouchov and D. Sorensen, LAPACK Users’ Guide (SIAM, Philadelphia, PA, 1992).

    Google Scholar 

  2. E. Balslev and J. Combes, Spectral properties of many body Schrödinger operators with dilation analytic interactions, Commun. Math. Phys. 22 (1971) 280-294.

    Google Scholar 

  3. I. Bar-On and M. Paprzycki, An efficient algorithm for finding eigenvalues of complex symmetric matrices, Comput. Assisted Mech. Engrg. Sci. (1997).

  4. I. Bar-On and V. Ryaboy, Fast diagonalization of large and dense complex symmetric matrices, with applications to quantum reaction dynamics, SIAM J. Sci. Comput. 18 (1997).

  5. J.K. Cullum and R.A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations (Birkhäuser, Boston, 1985).

    Google Scholar 

  6. J.K. Cullum and R.A. Willoughby, A QL algorithm for complex symmetric matrices, SIAM J. Matrix Anal. Appl. (1996).

  7. R.W. Freund, G.H. Golub and N.M. Nachtigal, Iterative solution of linear systems, Acta Numer. (1992) 1-44.

  8. F.R. Gantmacher, The Theory of Matrices, Vols. 1,2 (Chelsea, New York, 1959).

    Google Scholar 

  9. G.H. Golub and C.F.V. Loan, Matrix Computations (Johns Hopkins Univ. Press, Baltimore, MD, 1989).

    Google Scholar 

  10. N. Moiseyev, Resonances, cross-sections and partial widths by the complex coordinate method, Isr. J. Chem. 31 (1991) 311-322.

    Google Scholar 

  11. B.N. Parlett, The Symmetric Eigenvalue Problem (Prentice-Hall, Englewood Cliffs, NJ, 1980).

    Google Scholar 

  12. B.N. Parlett, D.R. Taylor and Z.A. Liu, A look-ahead Lanczos algorithm for unsymmetric matrices, Math. Comp. 44 (1985) 105-124.

    Google Scholar 

  13. W. Reinhardt, Complex coordinates in the theory of atomic and molecular structure and dynamics, Ann. Rev. Phys. Chem. 33 (1982) 223-255.

    Google Scholar 

  14. V. Ryaboy and N. Moiseyev, Three dimensional study of predissociation resonances by the complex scaled discrete variable representation method: HCO/DCO, J. Chem. Phys. 103 (1995).

  15. Y. Saad, Numerical Methods for Large Eigenvalue Problems (Halsted Press, New York, 1992).

    Google Scholar 

  16. J. Simon, Quadratic form techniques and the Balslev-Combes theorem, Commun. Math. Phys. 27 (1972) 1-9.

    Google Scholar 

  17. J. Simon, Resonances in n-body quantum systems with dilation analytic potentials and the foundations of time dependent perturbation theory, Ann. Math. 97 (1973) 247-274.

    Google Scholar 

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Bar-On, I., Paprzycki, M. High performance solution of the complex symmetric eigenproblem. Numerical Algorithms 18, 195–208 (1998). https://doi.org/10.1023/A:1019121515827

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