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Geometry Optimization For Electronically Excited Ionized Or Electron-attached States

Analytic gradients for the investigation of excited state/ionized state geometries and potential energy surfaces are available for

CIS/TDA, CIS(D), EOM-CCSD(2), and EOM-CCSD.

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Page last modified on January 15, 2009, at 07:16 PM
CFOUR is partially supported by the U.S. National Science Foundation.