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Ab initio calculation of magnetic shielding and susceptibility. Finite perturbation calculation of susceptibility with GIAO's

✍ Scribed by Matjaž Žaucer; Danilo Pumpernik; Milan Hladnik; Andrej Ažman

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
223 KB
Volume
44
Category
Article
ISSN
0009-2614

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✦ Synopsis

The magnetic susccptibdlty of hydrogen f!uorldc -s c.llculdtcd with four dlffcrcnt basis sets ofg:nugc invariant atomic orbit& (GIAO'F). Tbc Rooth.ran equations arc colvcd for various vcllucs of the magnetic field strcn,gtb and the susccptlbdrty is dcduccd by .I numerical differcnti.ltIon of the cncrgy.

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