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Convergency of the Monte Carlo algorithm for the solution of the Wigner quantum-transport equation

✍ Scribed by M. Nedjalkov; I. Dimov; F. Rossi; C. Jacoboni

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 639 KB
Volume: 23
Category: Article
ISSN: 0895-7177
DOI: 10.1016/0895-7177(96)00047-7

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## 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 Slater‐type orbital basis set, significantly extends the size molecule that can be tre