CDTK.Dynamics.FieldCouplings module

class CDTK.Dynamics.FieldCouplings.FieldCouplings(**opts)[source]

Bases: object

General properties of the pulses General functions provided for the field couplings

convert_waveform_unit()[source]

Convert waveform parameters in atomic units - [Intensity] [Amplitude] - Frequency - FWHM (gaussian pulse)

getDressedVd(Vd, v0, nstates, EpF_Umat, EpF_D_Umat)[source]

Returns the dressed non-adiabatic coupling matrix [Vd_dressed]

Implements Eq.(12) in Richter et al. ; JCTC 7, 1253 (2011)

getDressedVd_dUdt(Vd, nstates, EpF_Umat, EpF_dUdt)[source]

Returns dressed non-adiabatic coupling matrix [Vd_dressed]

calculated from direct dUdt

getElectricField(time, **opts)[source]

Return the current electric field strength

getEpF_D_Umat(x, nstates, dxgrad, external_E, MuE_MatElt)[source]

Return the gradient of the transformation matrix [EpF_D_Umat] of adiabatic-dressed representations

getGaussianPulse(time, **opts)[source]

Gaussian pulse

getSinusoidalPulse(time, **opts)[source]

Sinusoidal pulse

getUserDefinedPulse(time, **opts)[source]

User defined pulse

Pulse [Px Py Pz][TIME]