## Abstract A new algorithm is presented for the sparse representation and evaluation of Slater determinants in the quantum Monte Carlo (QMC) method. The approach, combined with the use of localized orbitals in a Slaterβtype orbital basis set, significantly extends the size molecule that can be tre
β¦ LIBER β¦
Efficient Monte Carlo algorithms for evaluating the correlation characteristics of conditional mathematical expectations
β Scribed by G.A. Mikhailov
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 256 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0041-5553
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