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Kramers unrestricted Hartree-Fock and second-order Moller-Plesset perturbation methods using relativistic effective core potentials with spin-orbit operators: Test calculations for HI and CH3I Kim, YS; Lee, SY; Oh, WS; Park, BH; Han, YK; Park, SJ; Lee, Yoon Sup, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.66, no.1, pp.91 - 98, 1998-01 |
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