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A trace inequality for M-matrices and the symmetrizability of a real matrix by a positive diagonal matrix

✍ Scribed by Miroslav Fiedler; Charles R. Johnson; Thomas L. Markham; Michael Neumann

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 688 KB
Volume: 71
Category: Article
ISSN: 0024-3795
DOI: 10.1016/0024-3795(85)90237-x

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In self-consistent field (SCF) calculations the construction of the Fock matrix is most time-consuming step. The Fock matrix construction may formally be seen as a matrix-vector multiplication, where the matrix is the supermatrix, Tikl, and the vector is the first-order density matrix, yi. This form