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The SCC-DFTB method applied to organic and biological systems: successes, extensions and problems.

The SCC-DFTB method applied to organic and biological systems: successes, extensions and problems. Marcus Elstner Physical and Theoretical Chemistry Technical Universi ty of Braunschweig. DFTB: non-self-consistent scheme.

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Coulomb part - PowerPoint PPT Presentation

The SCC-DFTB method applied to organic and biological systems: successes, extensions and problems.