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• W2017251202 abstract "Abstract Wavefunctions generated by the effective-core-potential and model-potential methods were used with the one-electron part of the correct microscopic spin—orbit Hamiltonian to evaluate spin—orbit contributions to the zero-field splitting of the X 3 Σ − state of NH, PH, AsH, and SbH. For both methods, the spin—orbit matrix elements have to be scaled up in order to correct for inadequate description of molecular orbitals near heavy nuclei. After scaling, both methods give very similar description of the fine structure in the ground state." @default.
• W2017251202 created "2016-06-24" @default.
• W2017251202 creator A5036678443 @default.
• W2017251202 date "1991-09-01" @default.
• W2017251202 modified "2023-09-24" @default.
• W2017251202 title "Comparison of the effective-core-potential and model-potential methods in the studies on spin—orbit effects: zero-field splitting of the X 3Σ− state of pnicogen hydrides" @default.
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• W2017251202 doi "https://doi.org/10.1016/0009-2614(91)90404-w" @default.
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