“Triplet-excited region” in polyene oligomers revisited: Pariser–Parr–Pople model studied with the density matrix renormalization group method
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1710010
Reference19 articles.
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2. Time-resolved absorption spectroscopy of the triplet state produced from the all-trans, 7-cis, 9-cis, 13-cis, and 15-cis isomers of β-carotene
3. Sensitized triplet photochemistry of E- and Z-1,3,5-hexatriene
4. S1 and T1 species of .beta.-carotene generated by direct photoexcitation from the all-trans, 9-cis, 13-cis, and 15-cis isomers as revealed by picosecond transient absorption and transient Raman spectroscopies
5. Triplet-sensitized and thermal isomerization of all-trans, 7-cis, 9-cis, 13-cis and 15-cis isomers of .beta.-carotene: configurational dependence of the quantum yield of isomerization via the T1 state
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1. Density matrix renormalization group for semiempirical quantum chemistry;Density Matrix Renormalization Group ( Dmrg) -Based Approaches in Computational Chemistry;2022
2. The time-dependent density matrix renormalisation group method;Molecular Physics;2017-11-30
3. Excited-State Geometry Optimization with the Density Matrix Renormalization Group, as Applied to Polyenes;Journal of Chemical Theory and Computation;2015-06-02
4. A new fragment-based approach for calculating electronic excitation energies of large systems;The Journal of Chemical Physics;2012-01-14
5. Electronic structures of low-lying Bu excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations;The Journal of Chemical Physics;2011-10-07
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