Mathcad Professional 14.0Andrei TokmakoffAndrei Tokmakoff93AB81A94-E75D-4747-9553-79589730C0152A0961C2-722F-4930-AC0E-1F628557892600000000-0000-0000-0000-00000000000000000000-0000-0000-0000-000000000000
Absorption Lineshape for the Displaced Harmonic Oscillator Model
Investigate the low temperature lineshape for electronic transition coupled to a single harmonic mode.
We will perform calculations for three couplings: weak medium, and strong:
Lets work in units of
Define the frequency of the electronic transition:
and the vibrational frequency:
Set up displacement grid
Set up time grid
Set up frequency grid:
The unitless displacement of the two harmonic wells is:
Ground and excited state potential energy surfaces
Lineshape function, Dephasing function and dipole correlation function
Plot the correlation function and dephasing function for low and high coupling