rraman.getBrownianDamping2

rraman.getBrownianDamping2(t, lmbda, Lambda, T=298.0, cutoff=1e-06)

Calculate pure electronic dephasing due to interaction with solvent using frictionally overdamped Brownian oscillator model. The real part of g(t) leads to a Gaussian broadening of the spectra, while the imaginary part leads to a solvent induced Stokes shift.

Parameters:
  • t (array) – Time axis in fs.
  • lmbda (float) – Solvent contribution to reorganization energy (cm-1).
  • Lambda (float) – Inverse of characteristic time scale for solvent fluctuations (fs-1).
  • T (float) – Temperature (K, default = 298 K).
  • cutoff (float) – Cutoff value for summation over brownian oscillators (default 1e-6).
Returns:

Damping term in the time domain, e^{-g(t)}.

See also

This implementation is taken from Kulinowksi, J Phys Chem 99, 9017 (1995), Eqs. (10a) to (10d).