Publication: Evaluation of Multicenter Electric Multipole Moment Integrals over Integer and Noninteger n-STOs
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Abstract
Multicenter electric multipole moment integrals over Slater type orbitals with integer and noninteger principal quantum numbers are expressed in terms of overlap integrals. The computer results for the integer case agree best with the prior literature. The accuracy of the computer results for noninteger case is not compared with the literature due to the lack of relevant literature, but the limit of the noninteger case is compared with the integer case and good agreement is achieved for wide changes in the relevant molecular parameters.
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WoS Q
Q3
Scopus Q
Q2
Source
Journal of the Chinese Chemical Society
Volume
51
Issue
1
Start Page
13
End Page
18
