We performed a simulation of a cluster of five water molecules at 300 K using an ab initio potential. In our first study, the interactions were calculated at the U Ž . Hartree᎐Fock level using a 6-31G basis set. A parallel big move hybrid Monte Carlo algorithm was used to conduct this modeling. We c
Monte Carlo simulation of a spin model on the parallel computer “PAX”
✍ Scribed by Tsutomu Hoshino; Sumiko Majima; Kiyo Takenouchi; Yoshio Oyanagi
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 668 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
✦ Synopsis
mura, Niiharigun, Ibarakiken 305, Japan
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