Total-energy global optimizations using nonorthogonal localized orbitals
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.52.1640/fulltext
Reference18 articles.
1. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
2. Large scale electronic structure calculations
3. Simple quantum-mechanical model of covalent bonding using a tight-binding basis
4. Orbital formulation for electronic-structure calculations with linear system-size scaling
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