sf.apps.qchem.vibronic.gbs_params

gbs_params(w, wp, Ud, delta, T=0)[source]

Converts molecular information to GBS gate parameters.

Example usage:

>>> formic = data.Formic()
>>> w = formic.w  # ground state frequencies
>>> wp = formic.wp  # excited state frequencies
>>> Ud = formic.Ud  # Duschinsky matrix
>>> delta = formic.delta  # displacement vector
>>> T = 0  # temperature
>>> p = gbs_params(w, wp, Ud, delta, T)
Parameters
  • w (array) – normal mode frequencies of the initial electronic state in units of \(\mbox{cm}^{-1}\)

  • wp (array) – normal mode frequencies of the final electronic state in units of \(\mbox{cm}^{-1}\)

  • Ud (array) – Duschinsky matrix

  • delta (array) – Displacement vector, with entries \(\delta_i=\sqrt{\omega'_i/\hbar}d_i\), and \(d_i\) is the Duschinsky displacement

  • T (float) – temperature (Kelvin)

Returns

the two-mode squeezing parameters \(t\), the first interferometer unitary matrix \(U_{1}\), the squeezing parameters \(r\), the second interferometer unitary matrix \(U_{2}\), and the displacement parameters \(\alpha\)

Return type

tuple[array, array, array, array, array]