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Calculation of magnetic properties of molecules by a variation method using Gaussian functions

✍ Scribed by A. Yu. Sadykova; R. M. Aminova

Publisher
SP MAIK Nauka/Interperiodica
Year
1980
Tongue
English
Weight
342 KB
Volume
21
Category
Article
ISSN
0022-4766

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A new method (IGAIM -individual gauges for atoms in molecules) is presented for relatively accurate ab initio calculations of molecular magnetic response properties. The current density induced within an atom in a molecule by an external magnetic field is well described by the coupled, perturbed Har