On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework

2016/10/31 by Małgorzata Olejniczak, Malgorzata Olejniczak, Radovan Bast +2
Earth and Planetary Sciences · Materials Science · Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Applied mathematics #Artificial intelligence #Atomic physics #Component (thermodynamics) #Computational physics #Computer science #Crystal Structures and Properties #Embedding #High-pressure geophysics and materials #Mathematical analysis #Mathematics #Order (exchange) #Physics #Relativistic quantum chemistry #Scheme (mathematics) #Theoretical physics #Thermodynamics #physics.chem-ph

paper · pdf · doi:10.1039/c6cp08561j

openalex publication_date 2017/01/01 · arxiv created 2017/01/04 · arxiv updated 2017/08/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

complex, and calls for a thorough comparison of ZORA and DC Hamiltonians in the description of environment effects on NMR parameters for molecular systems with heavy elements.

Citations

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