1. New algorithms for iterative matrix‐free eigensolvers in quantum chemistry. Issue 5 (2nd December 2014) Authors: Zuev, Dmitry; Vecharynski, Eugene; Yang, Chao; Orms, Natalie; Krylov, Anna I. Journal: Journal of computational chemistry Issue: Volume 36:Issue 5(2015) Page Start: 273 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Singlet–triplet energy gaps and the degree of diradical character in binuclear copper molecular magnets characterized by spin-flip density functional theory. Issue 19 (29th January 2018) Authors: Orms, Natalie; Krylov, Anna I. Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 19(2018) Page Start: 13127 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗