Influence spectra and spectral density

[shudong wang]

Dear all,

What is the spectral density in the out directry(like icond0pair6_1Spectral_density)? And the influnce spectra can be obtained to compute the autocorrelation functions for energy gap. What the relationship between these 2 quantities? 

Thanks!

Shudong

[Alexey Akimov]

Dear Shudong,

Please take a look at the following papers:

Madrid, A. B.; Hyeon-Deuk, K.; Habenicht, B. F.; Prezhdo, O. V. Phonon-Induced Dephasing of Excitons in Semiconductor Quantum Dots: Multiple Exciton Generation, Fission, and Luminescence. ACS nano 2009, 3 (9), 2487–2494. (methodology section)

Akimov, A. V.; Prezhdo, O. V. Persistent Electronic Coherence Despite Rapid Loss of Electron–Nuclear Correlation. The Journal of Physical Chemistry Letters 2013, 4 (22), 3857–3864.

It is actually the other way around - you first compute the ACF of the energy gap fluctuation dE_ij = E_ij - <E_ij>, where E_ij = E_i - E_j. Then, you compute an FT of the ACF and that gives you the influence spectrum.

Best,

Alexey