Electronic structures of low-lying Bu excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations

Excitation energy calculation of conjugated hydrocarbons: A new Pariser–Parr–Pople model parameterization approaching CASPT2 accuracy

(2011) Dawei Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

The lowest singlet states of octatetraene revisited

(2011) Celestino Angeli et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism enabling the observation of the formally optically-forbidden and states in resonance-Raman excitation profiles of spheroidene in KBr disc

(2010) Hiroyoshi Nagae et al.   CHEMICAL PHYSICS

Excited-State Dynamics of Overlapped Optically-Allowed 1Bu+ and Optically-Forbidden 1Bu- or 3Ag- Vibronic Levels of Carotenoids: Possible Roles in the Light-Harvesting Function

(2010) Yasushi Koyama et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene

(2008) Debashree Ghosh et al.   JOURNAL OF CHEMICAL PHYSICS

Covalent Excited States of Polyenes C2nH2n+2(n= 2−8) and Polyenyl Radicals C2n-1H2n+1(n= 2−8): An Ab Initio Valence Bond Study

(2008) Junjing Gu et al.   Journal of Chemical Theory and Computation

Performance of the Density Functional Theory/Multireference Configuration Interaction Method on Electronic Excitation of Extended π-Systems

(2008) Christel M. Marian et al.   Journal of Chemical Theory and Computation

On the nature of the π → π* ionic excited states: The V state of ethene as a prototype

(2008) Celestino Angeli   JOURNAL OF COMPUTATIONAL CHEMISTRY

Energies of Low-Lying Excited States of Linear Polyenes

(2008) Ronald L. Christensen et al.   JOURNAL OF PHYSICAL CHEMISTRY A