A local formalism for the study of very large bonded systems
β Scribed by J.D. Joannopoulos; Eugene J. Mele
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 349 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0038-1098
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A fast efficient algorithm may be used for integrating very large (n >> 10) stiffdifferential equations of the type R = Ax + Bu + f(x, t), x(t0) = x0, wh ere f(x, t) has a small Lipschitz constant. Summary--An algorithm for integrating high dimensional stiff nonlinear differential equations of the
A method for rapidly computing electric dipolar susceptibilities of large systems such as semiconductor surfaces is given. Bond polarisabilities and bond-bond interactions are calculated by an ab initio technique. Bond interactions are also calculated by a point-dipole model where bond dipoles are a
We describe the implementation of the cell multipole method CMM in a Ε½ . Ε½ . complete molecular dynamics MD simulation program MPSim for massively parallel supercomputers. Tests are made of how the program scales with size Ε½ . Ε½ . linearly and with number of CPUs nearly linearly in applications invo