Validation of the density-functional based tight-binding approximation method for the calculation of reaction energies and other data
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1871913
Reference16 articles.
1. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme
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4. A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules
5. An approximate DFT method for QM/MM simulations of biological structures and processes
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