𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water

✍ Scribed by Morales, Miguel A.; Gergely, John R.; McMinis, Jeremy; McMahon, Jeffrey M.; Kim, Jeongnim; Ceperley, David M.


Book ID
124069933
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
968 KB
Volume
10
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Orientational pair correlation function
✍ Hong Xu; M. Kotbi πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 369 KB

A reverse Monte Carlo simulation of liquid water at room temperature is made by fitting the partial pair correlation functions of our model system to those obtained from neutron scattering experiments. The atoms in a molecule are held together by non-rigid bonds under geometric constraints. In order