Density functional tight binding: application to organic and biological molecules

By Michael Gaus, Qiang Cui, Marcus Elstner. 2014

181 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/1b5d2fdbe6320a4aa6724bd763b36a74e1021b01