Calculation of oscillator strengths using the density matrix renormalisation group method

We present a scheme for the calculation of oscillator strengths between the salient molecular states in correlated models of conjugated polymers using the density matrix renormalisation group method. The accuracy of the method is demonstrated by comparison with exact solutions. The method is applied...

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Bibliographic Details
Published in:Synthetic metals 1997-03, Vol.85 (1), p.1059-1060
Main Authors: Boman, M., Bursill, R.J., Barford, W.
Format: Article
Language:English
Subjects:
Applied sciences
Electrical, magnetic and optical properties
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
Semi-empirical models and model calculations
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Summary:We present a scheme for the calculation of oscillator strengths between the salient molecular states in correlated models of conjugated polymers using the density matrix renormalisation group method. The accuracy of the method is demonstrated by comparison with exact solutions. The method is applied to a model of polyacetylene in order to identify the dominant transitions, and hence the key states participating in non-linear optical properties.
ISSN:0379-6779
1879-3290
DOI:10.1016/S0379-6779(97)80149-X