Hypervolume Monte Carlo method at constant pressure
β Scribed by Fernando M.S. Silva Fernandes; F.F. Martins Freitas
- Book ID
- 108314547
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 297 KB
- Volume
- 102
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
We determine equation of state of stoichiometric FeO by employing the diffusion Monte Carlo method. The fermionic nodes of the many-body wave function are fixed by a single Slater determinant of one-particle orbitals extracted from spin-unrestricted Kohn-Sham equations utilizing a hybrid exchange-co
The Monte Carlo method is applied to the study of electron-ion recombination in COa. CH4 and NH3 over a wide range of pressures. Dissociative recombination is enhanced by energy transfer to the ambient gas molecules and the recombination rates peak at 11,2 and 9 X 10s cm3 s-r, respectively. At very
An N-body potential is found for the intermetallic CusAu and is tested for both the static and dynamic properties. This potential is a better approximation than the pair potentials and can be used for the description of defects and the relaxation effects on the order-disorder transition. It is the f