Multiconfiguration self‐consistent field (MCSCF) theory for excited states
作者： G. Das
DOI: 10.1063/1.1679100
关键词:
摘要: An exact MCSCF theory is proposed for excited states belonging to the same symmetry species and illustrated by actual application some of CN radical.
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sci-hub.se 参考文章(3)
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Tai‐ichi Shibuya, John Rose, Vincent McKoy, Equations‐of‐motion method including renormalization and double‐excitation mixing The Journal of Chemical Physics. ,vol. 58, pp. 500- 507 ,(1973) , 10.1063/1.1679230
G. Das, Arnold C. Wahl, New Techniques for the Computation of Multiconfiguration Self‐Consistent Field (MCSCF) Wavefunctions The Journal of Chemical Physics. ,vol. 56, pp. 1769- 1775 ,(1972) , 10.1063/1.1677438