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The calculation of singular coefficients

✍ Scribed by M. Kermode; A. McKerrell; L.M. Delves

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
743 KB
Volume
50
Category
Article
ISSN
0045-7825

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πŸ“œ SIMILAR VOLUMES

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The evaluation of gradients and second derivalives OC the electronic energy of ;1 molcculs is discussed Tar LWC) methods G+ich include electron corr&tion effects -configuration interaction and perturb&on theory. 11 is shown 111x1 numerkdly smbls prowdures wn be devised using the facl that the energy