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
On multiplication of a perforated matrix by a vector
β Scribed by KH.D. Ikramov
- Publisher
- Elsevier Science
- Year
- 1984
- Weight
- 220 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0041-5553
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