An efficient realization of a determinant-based algorithm for the large full configuration interaction (FCI) problem is presented, it effectively exploits the sparsity of the CI vector. Within this technique we reproduced the one billion calculation for the 'S ground state of the Mg atom on a Spare
✦ LIBER ✦
Passing the one-billion limit in full configuration-interaction (FCI) calculations
✍ Scribed by Jeppe Olsen; Poul Jørgensen; Jack Simons
- Book ID
- 107734867
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 840 KB
- Volume
- 169
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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