Gauge-including projector augmented-wave NMR chemical shift calculations with DFT+ U (2017)
Attributed to:
Collaborative Computer Project: NMR Crystallography
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1103/physrevb.96.045142
Publication URI: http://dx.doi.org/10.1103/physrevb.96.045142
Type: Journal Article/Review
Parent Publication: Physical Review B
Issue: 4