The differential Green's function Monte Carlo method. The dipole moment of LiH
โ Scribed by Bryan H. Wells
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 637 KB
- Volume
- 115
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The differential diffusion Monte Carlo method, involving correlated random walks, is used to calculate the static polarizabilities of molecular hydrogen and helium by application of a finite electrostatic field. The results are for molecular hydrogen (~,=4.60(3) au; (Y, =6.38(S) au; for helium LY= 1
Stochastic models for the solution of nonlinear partial differential equations are discussed. They consist of a discretized version of these equations and Monte Carlo techniques. The Markov transitions are based on a priori estimates of the solution. To improve the efficiency of stochastic smoothers
The effects of dipole-dipole interaction on mesophase formation are investigated with a Monte Carlo simulation using the dipolar Gay-Berne potential. It is shown that the dipole moment at the end of a molecule causes a shift in the nematic-isotropic transition toward higher temperature and a spread