| Z. Bai, M. Fahey, G. Golub, M. Menon and E. Richter, Computing partial eigenvalue sum in electronic structure calculations, Report SCCM-98-03, Computer Science Department, Stanford University, Stanford, 1998. |
....this paper k Delta k denotes the Euclidean vector norm or the associated induced matrix norm. Functions f discussed in the literature include f(t) 1=t, f(t) 1= t ) and f(t) exp(fft) where and ff are given constants. In a sequence of papers Golub and collaborators, see, e.g. [1, 2, 3, 4, 5, 7], have exploited the connection between matrix functionals of the form (1) Stieltjes integrals, Gauss type quadrature rules and the Lanczos process to derive powerful inexpensive algorithms for the computation of upper and lower bounds for F (A) For definiteness, introduce the spectral ....
Z. Bai, M. Fahey, G. Golub, M. Menon and E. Richter, Computing partial eigenvalue sum in electronic structure calculations, Report SCCM-98-03, Computer Science Department, Stanford University, Stanford, 1998.
....eigenvalues are found inadequate due to large number of eigenvalues required. Since the problem is required to be solved repeatly, we are now able to solve previously intractable large scale problems. The relative accuracy of new approach within 0.4 to 1. 5 is satisfactory for the application [3]. 30 20 10 0 10 20 30 Spectrum Fig. 3. A carbon cluster that forms part of a knee structure, and the corresponding spectrum Table 3. Performance of our method vs. dense methods on Convex Exemplar SPP1200. Here, 10 Monte Carlo samples were used to obtain estimates for each systems size. Dense ....
Bai, Z., Fahey, M., Golub, G., Menon, M., Richter, E.: Computing partial eigenvalue sum in electronic structure calculations, Scientific Computing and Computational Mathematics Program, Computer Science Dept., Stanford University, SCCM-98-03, 1998.
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