Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis

This is a publication. If there is no link to the publication on this page, you can try the pre-formated search via the search engines listed on this page.

Authors: Stephan Mohr, Michel Masella, Laura E. Ratcliff, Luigi Genovese

Journal title: Journal of Chemical Theory and Computation

Journal number: 13/9

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 4079-4088

DOI identifier: 10.1021/acs.jctc.7b00291

ISSN: 1549-9618