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The calculation of second-order molecular properties at the CI level of accuracy. The magnetisability of LiH

✍ Scribed by G.T. Daborn; N.C. Handy

Book ID
103021649
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
606 KB
Volume
81
Category
Article
ISSN
0009-2614

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✦ Synopsis

The perturbation theory approach to the calculation of secondarder molecular properties is amended for the case when the perturbation is a magnetic field. It is therefore possible to calculate rehably the CI contrl%utions to molecular magnetisabilities and large basis results are presented for LIH. 'i AxII ~xkp b) Ax: (1) Ax! (2) -

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