rraman.t20D

rraman.t20D(t, beta, eVIB)

Time dependent overlap integral between vibrational ground and second excited state 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:

2-0 overlap integral as function of time (same shape as t).

See also

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