Effect of Terminal Groups, Polyene Chain Length, and Solvent on the First Excited Singlet States of Carotenoids

2000 ◽  
Vol 104 (28) ◽  
pp. 6668-6673 ◽  
Author(s):  
Zhangfei He ◽  
David Gosztola ◽  
Yi Deng ◽  
Guoqiang Gao ◽  
Michael R. Wasielewski ◽  
...  
1987 ◽  
Vol 109 ◽  
Author(s):  
Paul Tavan ◽  
Klaus Schulten

ABSTRACTWe apply the Pariser-Parr-Pople Hamiltonian to study many-electron excitations in polyenes and polyacetylene. The excited singlet states of polyenes, calculated by a multireference double excitation expansion, are classified as quasi-particle excitations, namely as triplet-triplet magnons and particle-hole excitons. From finite polyene spectra we derive approximate dispersion relations for these quasi-particles in the infinite polyene, i.e. polyacetylene.


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