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A comparison of ab initio optical rotations obtained with static and dynamic methods

✍ Scribed by Prasad L. Polavarapu; Chunxia Zhao


Book ID
108312612
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
84 KB
Volume
296
Category
Article
ISSN
0009-2614

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Molecular polarisabilities calculated with density functional theory using both the local density approximation and a gradient corrected functional are contrasted with results obtained using standard ab initio methods. The ab initio methods used are SCE second-order and fourth-order MΒ’ller-Plesset p