Reference.Variables.time

Variable "time" in MATLAB/Octave version of WavePacket

This global, structured(!) variable contains all information about temporal discretization (TDSE or LvNE or CLE or QCLE), external fields, initial states etc., for time-dependent calculations using qm_propa and/or qm_optimal. All of these settings are ignored when you run a time-independent calculation using qm_bound.

Field name	Matlab/Octave type	description
time.dof	Cell vector of objects of classes from +init folder	Setting up initial wavefunctions or classical densities as product ¹ ²
time.corr	Object of class from +init folder	Setting up initial wavefunction (fully correlated) ¹
time.ket	Structure	Setting up initial state vector
time.rho	Structure	Setting up initial density matrix
time.propa	Object of class from subfolders of +tmp	Choice of propagators
time.steps	Object of class +tmp/steps	Main time steps and sub-steps
time.efield	Object of class +tmp/efield	External electric field, interacting with dipoles and/or polarizabilities
time.pulse	Cell vector of objects of classes from +efi folder	Electric field as sequence of pulses (equal or different shape functions)
time.frog	Structure	Frequency resolved optical gating (for qm_optimal only)
time.counters	Structure	Several counters used to analze the performance of (surface hopping) trajectory simulations

¹ There are two different ways of setting up an initial wave function, either as a direct product of one-dimensional functions along each of the dof's (through time.dof) or as a correlated N-dimensional function (through time.corr). Specify only one of them, never both!

² So far, the only way to initialize (quantum-) classical trajectory simulations goes via a direct product of one-dimensional functions (through time.dof): The respective wavefunctions are Wigner-transformed, and the resulting (quasi-)probability functions are sampled by points in phase space which serve as initial conditions for trajectories.