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Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d[sup 1] and d[sup 2] systems with octahedral and tetrahedral symmetries

Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d[sup 1] and d[sup 2] systems with octahedral and tetrahedral symmetries

Seth, Michael; Ziegler, Tom

期刊名称The Journal of Chemical Physics
作者Seth, Michael; Ziegler, Tom
卷第123卷
期第14期
印刷ISSN0021-9606
文件大小338.30KB
发表时间2005
DOI10.1063/1.2047553

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