Title of article :
Calculation of oscillator strengths using the density matrix renormalisation group method
Author/Authors :
Boman، نويسنده , , M. and Bursill، نويسنده , , R.J. and Barford، نويسنده , , W.، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 1997
Abstract :
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.
Keywords :
Semi-empirical models and model calculations
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals