Spin−Orbit Splittings in the Third-Row Transition Elements: Comparison of Effective Nuclear Charge and Full Breit−Pauli Calculations
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چکیده
منابع مشابه
Spin-Orbit Splittings in the Third-Row Transition Elements: Comparison of Effective Nuclear Charge and Full Breit-Pauli Calculations
The spin−orbit splittings of low-lying states in third-row transition elements were calculated using both an effective core potential (ECP) method within the one-electron (Zeff) approximation and all-electron (AE) methods using three different approaches. The wave functions were obtained using the multiconfiguration self consistent field (MCSCF) method followed by second-order configuration int...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2001
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp011677r