sf.apps.qchem.vibronic.gbs_params¶
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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]