✦ LIBER ✦
Monte Carlo liquid water simulation with four-body interactions included
✍ Scribed by J. Detrich; G. Corongiu; E. Clementi
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 388 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
for water molecules is derived. The new terms are combined with previously dcvclopcd two-and three-body POtCntht tcrrnsond upplied in n hlctropolis-Monte Carlo simulation at 298 K for nn (N, I',?") ensemble with 513 water molecules. Improvements, relative to the results using only two-body, or two-and three-body interxtions, are rcportcd for the correhttion functiong(O-O), for the S-ray and neutron-beam suttering intensities, and for the entllalpy.