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Cyclic matrix representation for sequential multiplication of complex matrices

✍ Scribed by Huang, Hongxin ;Liu, Liren ;Wang, Zhijiang

Book ID
115341614
Publisher
The Optical Society
Year
1991
Tongue
English
Weight
711 KB
Volume
30
Category
Article
ISSN
1559-128X

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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