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Gauge invariance and the magnetic properties of molecules

✍ Scribed by R. McWeeny

Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
257 KB
Volume
9
Category
Article
ISSN
0009-2614

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✦ Synopsis

Thoorics of mngnetic propcrtiee of motecules frequently employ the "gauge invariant" L1IO's first introduced by London. The bnsis for this choice of orbit& is reviewed, at the level OC approximate SCF theory, nnd the use of inappropriate gauge factors in previous work is pointed out. The invariance of computed propcrtics such as sh~el~n~ constnnta is demonstrntcd.

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