参考文献:1.Absil P A, Mahony R, Sepulchre R. Optimization Algorithms On Matrix Manifolds. Princeton, NJ: Princeton University Press, 2008MATH View Article 2.Bai Z, Demmel J, Dongarra J, et al. eds. Templates for the Solution of Algebraic Eigenvalue Problems: A Practical Guide. Philadelphia: SIAM, 2000 3.Davis C, Kahan W. The rotation of eigenvectors by a perturbation, III. SIAM J Numer Anal, 1970, 7: 1鈥?6MATH MathSciNet View Article 4.Demmel J. Applied Numerical Linear Algebra. Philadelphia: SIAM, 1997MATH View Article 5.Edelman A, Arias T A, Smith S T. The geometry of algorithms with orthogonality constraints. SIAM J Matrix Anal Appl, 1999, 20: 03鈥?53MathSciNet View Article 6.Golub G H, Van Loan C F. Matrix Computations 3rd ed. Baltimore, Maryland: Johns Hopkins University Press, 1996MATH 7.Horn R A, Johnson C R. Topics in Matrix Analysis. Cambridge: Cambridge University Press, 1991MATH View Article 8.Knyazev A V. Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method. SIAM J Sci Comput, 2001, 23: 517鈥?41MATH MathSciNet View Article 9.Knyazev A V, Argentati M E. Rayleigh-Ritz majorization error bounds with applications to FEM. SIAM J Matrix Anal Appl, 2010, 31: 1521鈥?537MATH MathSciNet View Article 10.Liu X, Wang X, Wen Z, et al. On the convergence of the self-consistent field iteration in Kohn-Sham density functional theory. ArXiv:1302.6022, 2013 11.Martin R M. Electronic Structure: Basic Theory and Practical Methods. Cambridge, UK: Cambridge University Press, 2004View Article 12.Milnor J W, Stasheff J D. Characteristic Classes. Princetou/Tokyo: Princeton University Press & University of Tokyo Press, 1974MATH 13.Ngo T, Bellalij M, Saad Y. The trace ratio optimization problem for dimensionality reduction. SIAM J Matrix Anal Appl, 2010, 31: 2950鈥?971MATH MathSciNet View Article 14.Nocedal J, Wright S. Numerical Optimization, 2nd ed. New York: Springer, 2006MATH 15.Parlett B N. The Symmetric Eigenvalue Problem. Philadelphia: SIAM, 1998MATH View Article 16.Saad Y. Numerical Methods for Large Eigenvalue Problems. Manchester, UK: Manchester University Press, 1992MATH 17.Saad Y, Chelikowsky J R, Shontz S M. Numerical methods for electronic structure calculations of materials. SIAM Rev, 2010, 52: 3鈥?4MATH MathSciNet View Article 18.Saunders V R, Hillier I H. A 鈥渓evel-shifting鈥?method for converging closed shell Hartree-Fock wave functions. Internat J Quantum Chem, 1973, 7: 699鈥?05View Article 19.Sleijpen G L G, van der Vorst H A. A Jacobi-Davidson iteration method for linear eigenvalue problems. SIAM J Matrix Anal Appl, 1996, 17: 401鈥?25MATH MathSciNet View Article 20.Stewart G W, Sun J G. Matrix Perturbation Theory. Boston: Academic Press, 1990MATH 21.Szabo A, Ostlund N S. Modern Quantum Chemistry: An Introduction To Advanced Electronic Structure Theory. New York: Dover, 1996 22.Th酶gersen L, Olsen J, Yeager D, et al. The trust-region self-consistent field method: Towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. J Chem Phys, 2004, 121: 16鈥?7View Article 23.Wang H, Yan S, Xu D, et al. Trace ratio vs. ratio trace for dimensionality reduction. In: IEEE Conference on Computer Vision and Pattern Recognition, 2007, CVPR鈥?7, 1鈥? 24.Wedin P 脜. On angles between subspaces. In: K氓gstr枚m B, Ruhe A, eds. Matrix Pencils. New York: Springer, 1983, 263鈥?85 25.Wen Z, Milzarek A, Ulbrich M, et al. Adaptive regularized self-consistent field iteration with exact Hessian for electronic structure calculation. SIAM J Sci Comput, 2013, 35: A1299鈥揂1324MATH MathSciNet View Article 26.Wen Z, Yin W. A feasible method for optimization with orthogonality constraints. Math Programming, 2013, 142: 397鈥?34MATH MathSciNet View Article 27.Yang C, Gao W, Meza J C. On the convergence of the self-consistent field iteration for a class of nonlinear eigenvalue problems. SIAM J Matrix Anal Appl, 2009, 30: 1773鈥?788MATH MathSciNet View Article 28.Yang C, Meza J C, Lee B, et al. KSSOLV 鈥?a MATLAB toolbox for solving the Kohn-Sham equations. ACM Trans Math Softw, 2009, 36: 1鈥?5MathSciNet View Article 29.Yang C, Meza J C, Wang L W. A trust region direct constrained minimization algorithm for the Kohn-Sham equation. SIAM J Sci Comput, 2007, 29: 1854鈥?875MATH MathSciNet View Article 30.Zhang L H. On optimizing the sum of the Rayleigh quotient and the generalized Rayleigh quotient on the unit sphere. Comput Opt Appl, 2013, 54: 111鈥?39MATH View Article 31.Zhang L H, Li R C. Maximization of the sum of the trace ratio on the Stiefel manifold. Technical Report 2013-04. Department of Mathematics, University of Texas at Arlington, May 2013, http://鈥媤ww.鈥媢ta.鈥媏du/鈥媘ath/鈥媝reprint/鈥?/span> 32.Zhang L H, Li R C. Maximization of the sum of the trace ratio on the Stiefel manifold, I: Theory. Sci China Math, 2014, doi: 10.1007/s11425-014-4824-0, in press 33.Zhang L H, Liao L Z, Ng M K. Fast algorithms for the generalized Foley-Sammon discriminant analysis. SIAM J Matrix Anal Appl, 2010, 31: 1584鈥?605MATH MathSciNet View Article 34.Zhang L H, Liao L Z, Ng M K. Superlinear convergence of a general algorithm for the generalized Foley-Sammon discriminant analysis. J Optim Theory Appl, 2013, 157: 853鈥?65MATH MathSciNet View Article 35.Zhang L H, Yang W, Liao L Z. A note on the trace quotient problem. J Optim Lett, 2013, doi: 10.1007/s11590-013-0680-z, in press 36.Zhang X, Zhu J, Wen Z, Zhou A. Gradient type optimization methods for electronic structure calculations. ArXiv:1308.2864, 2013
作者单位:LeiHong Zhang (1) RenCang Li (2)
1. Department of Applied Mathematics, Shanghai University of Finance and Economics, Shanghai, 200433, China 2. Department of Mathematics, University of Texas at Arlington, Arlington, TX, 76019-0408, USA
刊物类别:Mathematics and Statistics
刊物主题:Mathematics Chinese Library of Science Applications of Mathematics
出版者:Science China Press, co-published with Springer
ISSN:1869-1862
文摘
The necessary condition established in Part I of this paper for the global maximizers of the maximization problem $$\mathop {\max }\limits_V \left\{ {\frac{{tr(V^ \top AV)}} {{tr(V^ \top BV)}} + tr(V^ \top CV)} \right\} $$