WaveFunction¶

About the `WaveFunction` class¶

The WaveBlocks Project

Inheritance diagram¶

Inheritance diagram of WaveFunction

Class documentation¶

class WaveBlocks.WaveFunction(parameters)¶

This class represents a vector valued quantum state $|\Psi\rangle$ as used in the vector valued time-dependent Schroedinger equation. The state $|\Psi\rangle$ is composed of $\psi_0, \ldots, \psi_{N-1}$ where $\psi_i$ is a single wavefunction component.

get_nodes()¶

Returns:	The grid nodes $\gamma$ the wave function values belong to.

get_norm(values=None, summed=False, component=None)¶

Calculate the $L^2$ norm of the whole vector $|\Psi\rangle$ or some individual components $\psi_i$ . The calculation is done in momentum space.

Parameters:	values – Allows to use this function for external data, similar to a static function. summed – Whether to sum up the norms of the individual components. component – The component $\psi_i$ of which the norm is calculated.
Returns:	The $L^2$ norm of $\|\Psi\rangle$ or a list of the $L^2$ norms of all components $\psi_i$ . (Depending on the optional arguments.)

get_number_components()¶

Returns:	The number of components $\psi_i$ the vector $\|\Psi\rangle$ consists of.

get_values()¶

Return the wave function values for each component of $|\Psi\rangle$ .

Returns:	A list with the values of all components $\psi_i$ evaluated on the grid nodes $\gamma$ .

kinetic_energy(kinetic, summed=False)¶

Calculate the kinetic energy $E_{\text{kin}} := \langle\Psi|T|\Psi\rangle$ of the different components.

Parameters:	kinetic – The kinetic energy operator $T$ . summed – Whether to sum up the kinetic energies of the individual components.
Returns:	A list with the kinetic energies of the individual components or the overall kinetic energy of the wavefunction. (Depending on the optional arguments.)

potential_energy(potential, summed=False)¶

Calculate the potential energy $E_{\text{pot}} := \langle\Psi|V|\Psi\rangle$ of the different components.

Parameters:	potential – The potential energy operator $V$ . summed – Whether to sum up the potential energies of the individual components.
Returns:	A list with the potential energies of the individual components or the overall potential energy of the wavefunction. (Depending on the optional arguments.)

set_grid(grid)¶

Assign a new grid to the wavefunction. All values are regarded to belong to these grid nodes.

Parameters:	grid – The grid values as an numeric array.

set_values(values, component=None)¶

Assign new function values for each component of $|\Psi\rangle$ .

Raises ValueError:
Parameters:	values – A list with the new values of all the $\psi_i$ .
	If the list `values` has the wrong number of entries.

WaveFunction¶

About the `WaveFunction` class¶

Inheritance diagram¶

Class documentation¶

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WaveFunction¶

About the WaveFunction class¶

Inheritance diagram¶

Class documentation¶

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About the `WaveFunction` class¶