An extrapolation method based on the ek-transformation 1s applied to matrix Hartree-Fock calculations on the water and formaldehyde molecules. For water the two-electron energy is presented at each iteration for calculations with and without extrapolation. Results are also given to demonstrate the e
β¦ LIBER β¦
Exponential convergence and acceleration of Hartree-Fock calculations
β Scribed by A. Bonaccorso; M. di Torq; J. Lomnitz-Adler
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 454 KB
- Volume
- 324
- Category
- Article
- ISSN
- 0375-9474
No coin nor oath required. For personal study only.
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