Two algorithms for the calculation of F′(x) = D
✍ Scribed by C.J.F. Ridders
- Publisher
- Elsevier Science
- Year
- 1984
- Weight
- 136 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0141-1195
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Two algorithms for the calculation of extreme eigenvalues of large matrices recently presented are compared. The first one is a modification of the well-known power method with Chebyshev iterations to accelerate convergence and an auxiliary procedure capabable of automatically setting all the extern
In a previous article (J. Fernandez Rico, R. Upez and G. Ramirez, J. Comp. Chem., 9, 790 (1988)) we have proposed the calculation of molecular integrals involving STOs by means of some recurrence relations which use two sets (h and H) of overlap integrals (basic matrices). In the present paper, we d