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Cover Image, Volume 119, Issue 11
Publication year - 2019
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25948
Subject(s) - cover (algebra) , scalar (mathematics) , inclusion (mineral) , relativistic quantum chemistry , citation , theoretical physics , coupled cluster , physics , coupling (piping) , spin (aerodynamics) , computer science , library science , quantum mechanics , geometry , mathematics , molecule , engineering , mechanical engineering , thermodynamics
Article e25859 by Luis Alvarez‐Thon and colleagues reports a detailed study on the inclusion of relativistic effects when calculating magnetically induced current densities in heavy molecules. The goal is to highlight the importance of spin‐orbit coupling when calculating magnetic properties. The cover shows the induced current pathways according to three different levels of theory, namely, nonrelativistic, scalar relativistic and with the explicit inclusion of spin‐orbit coupling. The differences are evident.(DOI: 10.1002/qua.25859 )