pulsesuite.PSTD3D.rhoPJ

Quantum wire polarization and current density calculations for 3D Maxwell propagation.

This module handles the interface between 1D quantum wire calculations and 3D Maxwell field propagation, including polarization placement, current density calculation, and longitudinal field computation from charge density.

Author: Rahul R. Sah

Attributes

eps0

ii

Classes

QWArray

Quantum wire array state for 3D Maxwell propagation.

Functions

read_qw_parameters(filename)

Backward-compatible shim — delegates to _default_qw.

QuantumWire(space, dt, n, Ex, Ey, Ez, Jx, Jy, Jz, Rho, ...)

Backward-compatible shim — delegates to _default_qw.

CalcJfx(RhoNew, RhoPrev, dt, dx)

Compute free current density from charge density time derivative.

QWPlacement(Fwire, gx, gy, gz, Fgrid)

Place 1D quantum wire field into 3D Maxwell grid.

ElongfromRho(space, Rho, Px, Py, Pz, ExlfromPRho, ...)

Calculate longitudinal electric fields from polarization and charge density.

QuantumWire(space, dt, n, Ex, Ey, Ez, Jx, Jy, Jz, Rho, ...)

Backward-compatible shim — delegates to _default_qw.

read_qw_parameters(filename)

Backward-compatible shim — delegates to _default_qw.

Module Contents

pulsesuite.PSTD3D.rhoPJ.eps0
pulsesuite.PSTD3D.rhoPJ.ii = 1j
pulsesuite.PSTD3D.rhoPJ.read_qw_parameters(filename)

Read quantum wire parameters from file.

Reads QW configuration parameters from a file and updates module-level variables. If the file cannot be opened, prints an error message.

Parameters:

filename (str) – Path to the parameter file

Returns:

Error status: 0 for success, non-zero for error

Return type:

int

pulsesuite.PSTD3D.rhoPJ.QuantumWire(space, dt, n, Ex, Ey, Ez, Jx, Jy, Jz, Rho, ExlfromPRho, EylfromPRho, EzlfromPRho, ExlfromP, EylfromP, EzlfromP, ExlfromRho, EylfromRho, EzlfromRho, RhoBound)

Main quantum wire calculation routine.

Calculates polarization and charge density for quantum wires and deposits them into 3D Maxwell grid. Handles multiple wires and computes longitudinal fields from polarization and charge density.

Parameters:

  • space (object) – Space configuration object (from typespace)

  • dt (float) – Time step (s)

  • n (int) – Current time step number

  • Ex (ndarray) – X-component electric field (complex), 3D array

  • Ey (ndarray) – Y-component electric field (complex), 3D array

  • Ez (ndarray) – Z-component electric field (complex), 3D array

  • Jx (ndarray) – X-component current density (complex, modified in-place), 3D array

  • Jy (ndarray) – Y-component current density (complex, modified in-place), 3D array

  • Jz (ndarray) – Z-component current density (complex, modified in-place), 3D array

  • Rho (ndarray) – Charge density (complex, modified in-place), 3D array

  • ExlfromPRho (ndarray) – X-component longitudinal field from P+Rho (output), 3D array

  • EylfromPRho (ndarray) – Y-component longitudinal field from P+Rho (output), 3D array

  • EzlfromPRho (ndarray) – Z-component longitudinal field from P+Rho (output), 3D array

  • ExlfromP (ndarray) – X-component longitudinal field from P (output), 3D array

  • EylfromP (ndarray) – Y-component longitudinal field from P (output), 3D array

  • EzlfromP (ndarray) – Z-component longitudinal field from P (output), 3D array

  • ExlfromRho (ndarray) – X-component longitudinal field from Rho (output), 3D array

  • EylfromRho (ndarray) – Y-component longitudinal field from Rho (output), 3D array

  • EzlfromRho (ndarray) – Z-component longitudinal field from Rho (output), 3D array

  • RhoBound (ndarray) – Bound charge density (output), 3D array

Returns:

All output arrays are modified in-place.

Return type:

None

pulsesuite.PSTD3D.rhoPJ.CalcJfx(RhoNew, RhoPrev, dt, dx)

Compute free current density from charge density time derivative.

Calculates J_free = - ∫(∂ρ/∂t) dx using local approximation (Riemann sums).

Parameters:

  • RhoNew (ndarray) – Current charge density (complex), 1D array

  • RhoPrev (ndarray) – Previous charge density (complex), 1D array

  • dt (float) – Time step (s)

  • dx (float) – Spatial step (m)

Returns:

Free current density (complex), 1D array

Return type:

ndarray

pulsesuite.PSTD3D.rhoPJ.QWPlacement(Fwire, gx, gy, gz, Fgrid)

Place 1D quantum wire field into 3D Maxwell grid.

Deposits a 1D field Fwire along the x-axis into a 3D grid Fgrid using gate profiles gx, gy, gz for spatial weighting.

Parameters:

  • Fwire (ndarray) – Complex field along x-axis (length Nx), 1D array

  • gx (ndarray) – Gate profile in x direction, 1D array

  • gy (ndarray) – Gate profile in y direction, 1D array

  • gz (ndarray) – Gate profile in z direction, 1D array

  • Fgrid (ndarray) – Complex 3D Maxwell grid array to deposit into (modified in-place), 3D array

Returns:

Fgrid is modified in-place.

Return type:

None

pulsesuite.PSTD3D.rhoPJ.ElongfromRho(space, Rho, Px, Py, Pz, ExlfromPRho, EylfromPRho, EzlfromPRho, ExlfromP, EylfromP, EzlfromP, ExlfromRho, EylfromRho, EzlfromRho, RhoBound)

Calculate longitudinal electric fields from polarization and charge density.

Computes longitudinal (Coulomb) electric fields in k-space from polarization and free charge density, then transforms back to real space.

Parameters:

  • space (object) – Space configuration object (from typespace)

  • Rho (ndarray) – Free charge density (complex), 3D array

  • Px (ndarray) – X-component polarization (complex, modified in-place), 3D array

  • Py (ndarray) – Y-component polarization (complex, modified in-place), 3D array

  • Pz (ndarray) – Z-component polarization (complex, modified in-place), 3D array

  • ExlfromPRho (ndarray) – X-component longitudinal field from P+Rho (output), 3D array

  • EylfromPRho (ndarray) – Y-component longitudinal field from P+Rho (output), 3D array

  • EzlfromPRho (ndarray) – Z-component longitudinal field from P+Rho (output), 3D array

  • ExlfromP (ndarray) – X-component longitudinal field from P (output), 3D array

  • EylfromP (ndarray) – Y-component longitudinal field from P (output), 3D array

  • EzlfromP (ndarray) – Z-component longitudinal field from P (output), 3D array

  • ExlfromRho (ndarray) – X-component longitudinal field from Rho (output), 3D array

  • EylfromRho (ndarray) – Y-component longitudinal field from Rho (output), 3D array

  • EzlfromRho (ndarray) – Z-component longitudinal field from Rho (output), 3D array

  • RhoBound (ndarray) – Bound charge density (output), 3D array

Returns:

All output arrays are modified in-place.

Return type:

None

class pulsesuite.PSTD3D.rhoPJ.QWArray

Quantum wire array state for 3D Maxwell propagation.

Encapsulates all mutable module-level state (QW parameters, old polarization/charge arrays) enabling multiple independent QW array simulations.

Usage (mirrors Fortran workflow via shim):

# Implicit via shim — zero caller changes:
QuantumWire(space, dt, n, Ex, Ey, Ez, ...)

# Explicit — for multi-instance:
qw = QWArray()
qw.QuantumWire(space, dt, n, Ex, Ey, Ez, ...)
Nw = 4
y0 = 0.0
x0 = 0.0
z0 = 0.0
dxqw = 0.0
ay = 5e-09
az = 5e-09
QW = True
host = False
propagate = True
PxxOld = None
PyyOld = None
PzzOld = None
RhoOld = None
read_qw_parameters(filename)

Read quantum wire parameters from file.

Parameters:

filename (str) – Path to the parameter file

Returns:

Error status: 0 for success, non-zero for error

Return type:

int

QuantumWire(space, dt, n, Ex, Ey, Ez, Jx, Jy, Jz, Rho, ExlfromPRho, EylfromPRho, EzlfromPRho, ExlfromP, EylfromP, EzlfromP, ExlfromRho, EylfromRho, EzlfromRho, RhoBound)

Main quantum wire calculation routine.

Calculates polarization and charge density for quantum wires and deposits them into 3D Maxwell grid. Handles multiple wires and computes longitudinal fields from polarization and charge density.

All output arrays are modified in-place.

pulsesuite.PSTD3D.rhoPJ.QuantumWire(space, dt, n, Ex, Ey, Ez, Jx, Jy, Jz, Rho, ExlfromPRho, EylfromPRho, EzlfromPRho, ExlfromP, EylfromP, EzlfromP, ExlfromRho, EylfromRho, EzlfromRho, RhoBound)

Backward-compatible shim — delegates to _default_qw.

pulsesuite.PSTD3D.rhoPJ.read_qw_parameters(filename)

Backward-compatible shim — delegates to _default_qw.