DEVELOPING TEAM: Wei Zhuang*, Darius Abramavicius*,Ravindra Venkatramani, Thomas La Cour Jansen,Dmitrii Voronine,Ben Robinson,Tomoyuki Hayashi, Shaul Mukamel
Theoretical Nonlinear Spectroscopy group in University of California at Irvine is proud to announce the first release of the Optical spectroscopy modeling package "SPECTRON". SPECTRON is a linux based program designed to give a unified platform of optical spectroscopy calculation. The ultimate goal of the project is to calculate all possible linear and nonlinear optical signals of arbitrary systems. Current version of SPECTRON can calculate linear absorption, CD and several 3rd order signals (photon echo,etc.,) of amide I band of peptide vibrational spectrum from the atomic level peptide structures obtained either from computer simulation or from any structural determination experiments. By importing the external Hamiltonian, SPECTRON can also calculate the spectra of any other arbitrary system.
*: Main Contributors.
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