Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis
URL: http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00291
Authors: Mohr, Stephan / Masella, Michel / Ratcliff, Laura / Genovese, Luigi
Research Lines: Ab-Initio Electronic Structure Methods
Publication: Journal of Chemical Theory and Computation
Volume / Number / Pagination: 13 / 9 / 4079-4088