dftbplus/dftbplus [DFTB+] : Release 17.1
Aradi, Bálint and Hourahine, Ben (2017) dftbplus/dftbplus [DFTB+] : Release 17.1. Zenodo. (https://doi.org/10.5281/zenodo.809965)
Full text not available in this repository.Request a copyAbstract
DFTB+ is an implementation of the Density Functional based Tight Binding (DFTB) method, containing many extensions to the original method. The development is supported by various groups, resulting in a code which is probably the most versatile DFTB-implementation, with some unique features not available in other implementations so far.
ORCID iDs
Aradi, Bálint and Hourahine, Ben ORCID: https://orcid.org/0000-0002-7667-7101;-
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Item type: Other ID code: 61069 Dates: DateEvent16 June 2017PublishedKeywords: quantum chemistry, condensed matter simulation, materials science modelling, semi-empirical models, Physics, Computer software, Condensed Matter Physics, Physical and Theoretical Chemistry, Electronic, Optical and Magnetic Materials, Molecular Biology Subjects: Science > Physics
Science > Mathematics > Computer softwareDepartment: Faculty of Science > Physics Depositing user: Pure Administrator Date deposited: 23 Jun 2017 11:19 Last modified: 01 Nov 2023 09:05 Related URLs: URI: https://strathprints.strath.ac.uk/id/eprint/61069
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