Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory
Year: 2012
Type: article
DOI: 10.1021/ct300002t
Authors: Benjamin D. Dunnington, J. R. Schmidt
Institution: University of Wisconsin–Madison
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
OpenAlex ID: W2317468934