The performance of linear-scaling electronic structure calculations depends critically on matrix sparsity. This article gives an overview of different strategies for removal of small matrix elements, with emphasis on schemes that allow for rigorous control of errors. In particular, a novel scheme is
Large-Scale Electronic Structure Calculations Using Linear Scaling Methods
β Scribed by G. Galli
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 384 KB
- Volume
- 217
- Category
- Article
- ISSN
- 0370-1972
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β¦ Synopsis
We describe linear scaling methods for electronic structure calculations and quantum molecular dynamics simulations, and discuss the basic differences and similarities between the various frameworks proposed in the literature.
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