Electron Structure Quantum Monte Carlo
✍ Scribed by Lüchow, Arne; Petz, Rene; Schwarz, Annett
- Book ID
- 124168228
- Publisher
- Oldenbourg Wissenschaftsverlag
- Year
- 2010
- Tongue
- German
- Weight
- 415 KB
- Volume
- 224
- Category
- Article
- ISSN
- 0942-9352
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📜 SIMILAR VOLUMES
An overview of the development, implementation and application of quantum Monte Carlo (QMC) to electronic structure calculations of real systems such as atoms, molecules and solids is presented. The relation of QMC to traditional approaches is discussed and the basic notions of variational and diffu
## Abstract The Zori 1.0 package for electronic structure computations is described. Zori performs variational and diffusion Monte Carlo computations as well as correlated wave function optimization. This article presents an overview of the implemented methods and code capabilities. © 2005 Wiley Pe