Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules

DOI10.1007/3-540-31618-3_17zbMath1207.81202OpenAlexW1558713869MaRDI QIDQ5484146

Yaoquan Tu, Aatto Laaksonen

Publication date: 24 August 2006

Published in: New Algorithms for Macromolecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/3-540-31618-3_17

zbMATH Keywords

quantum chemistryDFTMD simulationab initio tight-bindingNDDO

Mathematics Subject Classification ID

Molecular physics (81V55)

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