DFTB for studying chemical systems

dc.contributor.advisor	van Erp Titus Sebastian
dc.contributor.author
dc.date.accessioned	2022-07-02T17:22:13Z
dc.date.available	2022-07-02T17:22:13Z
dc.date.issued	2022
dc.identifier	no.ntnu:inspera:106166281:49554284
dc.identifier.uri	https://hdl.handle.net/11250/3002455
dc.description.abstract
dc.description.abstract	DFTB is a method that parameterize the DFT through a taylor expansion of a referance density. From this there have been developed techniques up to the third order, as well as methods to improve the shortcomings that DFTB holds. The accuracy depends on the systems, but most are covered and is very accurate on some fields, and therefore should always be considered when computing systems.
dc.language	eng
dc.publisher	NTNU
dc.title	DFTB for studying chemical systems
dc.type	Bachelor thesis