The FMO-DFTB Method
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Publisher
Springer Singapore
Link
http://link.springer.com/content/pdf/10.1007/978-981-15-9235-5_23
Reference70 articles.
1. Almlöf J, Faegri Jr, K, Korsell K (1982) Principles for a direct SCF approach to LICAO–MOab-initio calculations. J Comput Chem 3(3):385–399. https://doi.org/10.1002/jcc.540030314
2. Burow AM, Sierka M, Mohamed F (2009) Resolution of identity approximation for the Coulomb term in molecular and periodic systems. J Chem Phys 131(21):214101. https://doi.org/10.1063/1.3267858
3. Kitaura K, Ikeo E, Asada T, Nakano T, Uebayasi M (1999) Fragment molecular orbital method: an approximate computational method for large molecules. Chem Phys Lett 313:701–706
4. Cui Q, Elstner M (2014) Density functional tight binding: values of semi-empirical methods in an ab initio era. Phys Chem Chem Phys 16:14368–14377. https://doi.org/10.1039/C4CP00908H
5. Gaus M, Cui Q, Elstner M (2014) Density functional tight binding: application to organic and biological molecules. WIREs Comput Mol Sci 4(1):49–61
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