rraman.t00D

rraman.t00D(t, beta, eVIB)

Time dependent overlap integral between vibrational ground states of electronic ground and excited state with a linear dissociative excited state surface along this vibrational coordinate.

Parameters:
  • t (array) – Time axis in (fs).
  • beta (float) – Slope of excited state potential energy surface (dV / dq) in (cm-1) (q is dimensionless coordinate).
  • eVIB (float) – Vibrational frequency (cm-1).
Returns:

0-0 overlap integral as function of time (same shape as t).

See also

Myers, Eqs. (52) - (54).