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The reduction of multicentre integrals to one centre

✍ Scribed by A.B. Bolotin; V.K. Shugurov


Publisher
Elsevier Science
Year
1963
Weight
336 KB
Volume
3
Category
Article
ISSN
0041-5553

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## Abstract One‐center core integrals for valence orbitals are determined from the experimental average energies of neutral atomic configurations from Li through Zn. These values are compared with those estimated from CNDO/1, β€œINDO/1”, CNDO/2, β€œINDO/2” and with theoretical values calculated from a