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Inside Cover, Volume 114, Issue 20
Publication year - 2014
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.24756
Subject(s) - semiclassical physics , physics , theoretical physics , cover (algebra) , perturbation theory (quantum mechanics) , quantum , computer science , quantum mechanics , mechanical engineering , engineering
On page 1364 (DOI: 10.1002/qua.24662 ), Paolo Lazzeretti reviews the response of a molecule to static and dynamic electromagnetic fields and intramolecular perturbations within the framework of the Rayleigh–Schrödinger perturbation theory. A semiclassical approach is adopted, using quantized forms of electronic operators and the nonquantized description of electromagnetic fields via the Maxwell equations. Theoretical relationships are reported to evaluate magnetizability, nuclear magnetic shielding, and nuclear spin‐spin coupling. The whole theory can be reformulated using equations of classical electromagnetism, provided that the current density is evaluated by quantum mechanical methods. Numerous relationships describing the change of static and dynamic electromagnetic properties in a translation of the reference frame are reported.