FT

Define parameters for Fourier transforms used in RTP outputs. [Edit on GitHub]

Subsections

PADE

Keywords

DAMPING
START_TIME

Keyword descriptions

DAMPING: real = -1.00000000E+000 [fs]

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

Numerical Fourier transform (required for calculation of MOMENTS_FT and POLARIZABILITY) can oscillate when the final time trace values are far away from zero. This keyword controls the exponential damping added to the Fourier transform (Fourier transform is used for calculation of MOMENTS_FT and POLARIZABILITY). For negative values (the default), calculates the damping at the run time so that the last point in the time trace is reduced by factor e^(-4). When set manually, determines the time in which the moments trace is reduced by factor of e^(-1), except when set to zero, in which case the damping is not applied. [Edit on GitHub]

START_TIME: real = 0.00000000E+000 [fs]

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

The starting time from which damping is applied and from which on the trace is considered for the Fourier transform (Fourier transform is used for the calculation of MOMENTS_FT and POLARIZABILITY). Useful for real-time pulse - one can specify the center of the pulse as the starting point. [Edit on GitHub]