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).