Dressed TDDFT Study of Low-Lying Electronic Excited States in Selected Linear Polyenes and Diphenylopolyenes

Dressed TDDFT method is applied to the calculations of low-lying electronic excited states of selected linear polyenes and alpha,omega-diphenylopolyenes. It is shown that proper accounting for doubly excited configurations is necessary to correctly describe excitation energies and geometrical structure of the 2(1)A(g) state in these systems. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 819-825, 2011