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Analytical evaluation of molecular electric and magnetic multipole moment integrals over Slater‐type orbitals
Author(s) -
Guseinov I. I.
Publication year - 1998
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1998)68:3<145::aid-qua1>3.0.co;2-v
Subject(s) - multipole expansion , slater integrals , spherical multipole moments , fast multipole method , physics , electron magnetic dipole moment , moment (physics) , magnetic moment , neutron magnetic moment , atomic orbital , quantum electrodynamics , magnetic dipole , classical mechanics , quantum mechanics , electron , magnetic field
The analytical expressions are derived for the magnetic multipole moment integrals in terms of electric multipole moment integrals for which the closed formulas through the overlap integrals are obtained. By the use of the derived expressions in terms of overlap integrals, the electric and magnetic multipole moment integrals, the electric and magnetic properties of molecules can be evaluated most efficiently and accurately. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 68: 145–150, 1998