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
✦ LIBER ✦
Convergence of the Hartree-Fock green matrix method
✍ Scribed by R.S. Chen; P. Otto; M. Seel; J. Ladik
- Book ID
- 107942377
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 681 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
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