Title of article :
Efficient calculation of resonance positions and widths using doubled Chebyshev autocorrelation functions
Author/Authors :
Li، نويسنده , , Guohui and Guo، نويسنده , , Hua، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Abstract :
We demonstrate in this work that two recently proposed doubling schemes for computing damped Chebyshev autocorrelation functions provide accurate information about both the positions and widths of resonances. Low-lying resonances of HN2 and DN2 have been studied using the two efficient methods. The numerical effectiveness of the two methods was found to be comparable. In addition, the HN2 and DN2 resonances have been assigned and analyzed in some detail.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters