Real-space solution to the problem of full disclosure
β Scribed by Rupp, Bernhard
- Book ID
- 109813367
- Publisher
- Nature Publishing Group
- Year
- 2006
- Tongue
- English
- Weight
- 99 KB
- Volume
- 444
- Category
- Article
- ISSN
- 0028-0836
- DOI
- 10.1038/444817b
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A multigrid method for numerically solving electrostatics and quantum chemical problems in real space is discussed. Multigrid techniques are used to solve both the linear Poisson equation and the nonlinear KohnαSham and PoissonαBoltzmann Ε½ . equations. The electrostatic potential, Laplacian, charge
A new finite-cluster method for the correlated electron problem has been applied to Hubbard and Heisenberg models and shown to yield accurate solutions for the ground-state and low-lying excited states of finite systems. Iterating this method results in much improved estimates of ground-state energy