Abstract
A method for calculating the analytical energy gradient of the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method was formulated and implemented. This method adapts to the selection procedure of the linked and unlinked operators in the current SAC/SAC–CI code. It was applied to various molecules in various electronic states, and was confirmed to perform well for general use.
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