MCSCF THEORY FOR EXCITED STATES
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Publisher:Ohio State University
A theory for calculating wavefunctions for excited states having lower states of the same symmetry by the method of multi-configuration self-consistent field (MCSCF) techniques is presented. The method is recommended wherever more accuracy is desired than that yielded by conventional CI-calculations. The ground state (X) and the exicted state (B) of the CN radical are considered to illustrated the method.
Author Institution: Argonne National Laboratory
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