pulsesuite.PSTD3D.qwoptics

Quantum wire optics calculations for quantum wire simulations.

This module converts Maxwell electric fields from propagation space to quantum wire (QW) electric fields, and vice versa. It also calculates QW polarization and charge densities.

State is encapsulated in the QWOptics class (one instance per quantum wire configuration). JIT/CUDA kernels and stateless helper functions remain at module level.

Author: Rahul R. Sah

Attributes

twopi

c0

hbar

eps0

ii

Classes

QWOptics

Quantum wire optics state and calculations.

Functions

yw(w)

Calculate wire-dependent sign factor.

QWChi1(lam, dky, Ee, Eh, area, geh, dcv)

Calculate quantum wire linear susceptibility.

GetVn1n2(kr, rcv, Hcc, Hhh, Hcv, Vcc, Vvv, Vcv, Vvc)

Calculate interaction matrices Vcc, Vvv, Vcv, Vvc.

printITReal2(Dx, z, n, file)

Print real part of complex field to file.

printITReal(Dx, z, n, file)

Print real part of complex field to file.

printIT3D(Dx, z, n, file)

Print 3D complex array to file.

WriteSBESolns(ky, ne, nh, C, D, P, Ee, Eh, w, xxx)

Write SBE solutions to files.

WritePLSpectrum(hw, PLS, w, xxx)

Write photoluminescence spectrum to file.

WriteQWFields(QY, Ex, Ey, Ez, Vr, Px, Py, Pz, Re, Rh, ...)

Write QW field arrays to files.

WritePropFields(y, Ex, Ey, Ez, Vr, Px, Py, Pz, Re, Rh, ...)

Write propagation field arrays to files.

Module Contents

pulsesuite.PSTD3D.qwoptics.twopi
pulsesuite.PSTD3D.qwoptics.c0
pulsesuite.PSTD3D.qwoptics.hbar
pulsesuite.PSTD3D.qwoptics.eps0
pulsesuite.PSTD3D.qwoptics.ii = 1j
class pulsesuite.PSTD3D.qwoptics.QWOptics(RR, L, dcv, kr, Qr, Ee, Eh, ehint, area, gap)

Quantum wire optics state and calculations.

Wraps the Fortran-module state variables (_QWWindow, _Expikr, dipole matrices, etc.) into one object. Method names are identical to the original Fortran / flat-Python API so that callers stay familiar.

Parameters are the same as the old InitializeQWOptics function.

CalcQWWindow(YY, L)

Calculate quantum wire window function.

Parameters:

  • YY (ndarray) – Spatial coordinate array, 1D array

  • L (float) – Length of wire (m)

CalcExpikr(y, ky)

Compute exp(i k r) phase arrays.

Parameters:

  • y (ndarray) – Spatial coordinate array, 1D array

  • ky (ndarray) – Momentum coordinate array, 1D array

Prop2QW(RR, Exx, Eyy, Ezz, Vrr, Edc, R, Ex, Ey, Ez, Vr, t, xxx)

Convert Maxwell electric fields from propagation space to QW space.

Parameters:

  • RR (ndarray) – Maxwell spatial array, 1D

  • Exx (ndarray) – Maxwell electric field components, 1D, complex

  • Eyy (ndarray) – Maxwell electric field components, 1D, complex

  • Ezz (ndarray) – Maxwell electric field components, 1D, complex

  • Vrr (ndarray) – Maxwell free charge potential, 1D, complex

  • Edc (float) – DC field (currently unused)

  • R (ndarray) – QW spatial array, 1D

  • Ex (ndarray) – QW electric field components (modified in-place), 1D, complex

  • Ey (ndarray) – QW electric field components (modified in-place), 1D, complex

  • Ez (ndarray) – QW electric field components (modified in-place), 1D, complex

  • Vr (ndarray) – QW free charge potential (modified in-place), 1D, complex

  • t (float) – Current time (s)

  • xxx (int) – Time index

QW2Prop(r, Qr, Ex, Ey, Ez, Vr, Px, Py, Pz, re, rh, RR, Pxx, Pyy, Pzz, RhoE, RhoH, w, xxx, WriteFields, Plasmonics)

Convert QW fields and polarizations back to propagation space.

Parameters:

  • r (ndarray) – QW Y-space, 1D

  • Qr (ndarray) – QW momentum space, 1D

  • Ex (ndarray) – QW electric field components (modified in-place), 1D, complex

  • Ey (ndarray) – QW electric field components (modified in-place), 1D, complex

  • Ez (ndarray) – QW electric field components (modified in-place), 1D, complex

  • Vr (ndarray) – QW free charge potential (modified in-place), 1D, complex

  • Px (ndarray) – QW polarization components (modified in-place), 1D, complex

  • Py (ndarray) – QW polarization components (modified in-place), 1D, complex

  • Pz (ndarray) – QW polarization components (modified in-place), 1D, complex

  • re (ndarray) – QW electron/hole charge density (modified in-place), 1D, complex

  • rh (ndarray) – QW electron/hole charge density (modified in-place), 1D, complex

  • RR (ndarray) – Propagation Y-space, 1D

  • Pxx (ndarray) – Propagation polarizations (modified in-place), 1D, complex

  • Pyy (ndarray) – Propagation polarizations (modified in-place), 1D, complex

  • Pzz (ndarray) – Propagation polarizations (modified in-place), 1D, complex

  • RhoE (ndarray) – Propagation charge densities (modified in-place), 1D, complex

  • RhoH (ndarray) – Propagation charge densities (modified in-place), 1D, complex

  • w (int) – Wire index

  • xxx (int) – Time index

  • WriteFields (bool) – Record fields?

  • Plasmonics (bool) – Calculate charge densities?

QWPolarization3(y, ky, p, ehint, area, L, Px, Py, Pz, xxx, w)

Calculate QW polarization in 3D.

Parameters:

  • y (ndarray) – Spatial coordinate array, 1D

  • ky (ndarray) – Momentum coordinate array, 1D

  • p (ndarray) – Density matrix, shape (Nk, Nk), complex

  • ehint (float) – Electron-hole space integral

  • area (float) – Area of wire (m^2)

  • L (float) – Length of wire (m)

  • Px (ndarray) – QW polarization components (modified in-place), 1D, complex

  • Py (ndarray) – QW polarization components (modified in-place), 1D, complex

  • Pz (ndarray) – QW polarization components (modified in-place), 1D, complex

  • xxx (int) – Time index

  • w (int) – Wire index

QWRho5(Qr, kr, R, L, kkp, p, CC, DD, ne, nh, re, rh, xxx, jjj)

Calculate quantum wire charge densities.

Parameters:

  • Qr (ndarray) – QW momentum array, 1D

  • kr (ndarray) – QW momentum array, 1D

  • R (ndarray) – QW spatial coordinate array, 1D

  • L (float) – Length of wire (m)

  • kkp (ndarray) – Momentum difference index matrix, 2D, integer

  • p (ndarray) – Density matrix (unused, interface compat), 2D, complex

  • CC (ndarray) – Electron/electron coherence matrix, 2D, complex

  • DD (ndarray) – Hole/hole coherence matrix, 2D, complex

  • ne (ndarray) – Electron occupation numbers, 1D, complex

  • nh (ndarray) – Hole occupation numbers, 1D, complex

  • re (ndarray) – Electron charge density (modified in-place), 1D, complex

  • rh (ndarray) – Hole charge density (modified in-place), 1D, complex

  • xxx (int) – Time index

  • jjj (int) – Additional index (unused, interface compat)

Xcv(k, kp)

Get X dipole matrix element at indices (k, kp).

Ycv(k, kp)

Get Y dipole matrix element at indices (k, kp).

Zcv(k, kp)

Get Z dipole matrix element at indices (k, kp).

pulsesuite.PSTD3D.qwoptics.yw(w)

Calculate wire-dependent sign factor.

Parameters:

w (int) – Wire index

Returns:

Sign factor: (-1)**floor((w-1)/2)

Return type:

int

pulsesuite.PSTD3D.qwoptics.QWChi1(lam, dky, Ee, Eh, area, geh, dcv)

Calculate quantum wire linear susceptibility.

Parameters:

  • lam (float) – Wavelength (m)

  • dky (float) – Momentum step (1/m)

  • Ee (ndarray) – Electron energies, 1D

  • Eh (ndarray) – Hole energies, 1D

  • area (float) – Area of wire (m^2)

  • geh (float) – Electron-hole dephasing rate (1/s)

  • dcv (complex) – Carrier dipole moment (C m)

Returns:

Linear susceptibility chi^(1)

Return type:

complex

pulsesuite.PSTD3D.qwoptics.GetVn1n2(kr, rcv, Hcc, Hhh, Hcv, Vcc, Vvv, Vcv, Vvc)

Calculate interaction matrices Vcc, Vvv, Vcv, Vvc.

Parameters:

  • kr (ndarray) – Momentum coordinate array, 1D

  • rcv (ndarray) – Conduction-valence dipole moment array, 1D, complex

  • Hcc (ndarray) – Conduction-conduction Hamiltonian matrix, 2D, complex

  • Hhh (ndarray) – Hole-hole Hamiltonian matrix, 2D, complex

  • Hcv (ndarray) – Conduction-valence Hamiltonian matrix, 2D, complex

  • Vcc (ndarray) – Interaction matrices (modified in-place), 2D, complex

  • Vvv (ndarray) – Interaction matrices (modified in-place), 2D, complex

  • Vcv (ndarray) – Interaction matrices (modified in-place), 2D, complex

  • Vvc (ndarray) – Interaction matrices (modified in-place), 2D, complex

pulsesuite.PSTD3D.qwoptics.printITReal2(Dx, z, n, file)

Print real part of complex field to file.

Parameters:

  • Dx (ndarray) – Complex field array, 1D

  • z (ndarray) – Coordinate array, 1D

  • n (int) – Time index

  • file (str) – Base filename (without extension)

pulsesuite.PSTD3D.qwoptics.printITReal(Dx, z, n, file)

Print real part of complex field to file.

Parameters:

  • Dx (ndarray) – Complex field array, 1D

  • z (ndarray) – Coordinate array, 1D

  • n (int) – Time index

  • file (str) – Base filename (without extension)

pulsesuite.PSTD3D.qwoptics.printIT3D(Dx, z, n, file)

Print 3D complex array to file.

Parameters:

  • Dx (ndarray) – 3D complex array, shape (N1, N2, N3)

  • z (ndarray) – Coordinate array (unused, interface compat), 1D

  • n (int) – Time index

  • file (str) – Base filename (without extension)

pulsesuite.PSTD3D.qwoptics.WriteSBESolns(ky, ne, nh, C, D, P, Ee, Eh, w, xxx)

Write SBE solutions to files.

Parameters:

  • ky (ndarray) – QW momentum array, 1D

  • ne (ndarray) – Electron/hole occupation numbers, 1D, complex

  • nh (ndarray) – Electron/hole occupation numbers, 1D, complex

  • C (ndarray) – Coherence matrices, 2D, complex

  • D (ndarray) – Coherence matrices, 2D, complex

  • P (ndarray) – Coherence matrices, 2D, complex

  • Ee (ndarray) – Electron/hole energies, 1D, complex

  • Eh (ndarray) – Electron/hole energies, 1D, complex

  • w (int) – Wire index

  • xxx (int) – Time index

pulsesuite.PSTD3D.qwoptics.WritePLSpectrum(hw, PLS, w, xxx)

Write photoluminescence spectrum to file.

Parameters:

  • hw (ndarray) – Photon energy array (J), 1D

  • PLS (ndarray) – Photoluminescence spectrum, 1D

  • w (int) – Wire index

  • xxx (int) – Time index

pulsesuite.PSTD3D.qwoptics.WriteQWFields(QY, Ex, Ey, Ez, Vr, Px, Py, Pz, Re, Rh, sp, w, xxx)

Write QW field arrays to files.

Parameters:

  • QY (ndarray) – QY momentum/y-space array, 1D

  • Ex (ndarray) – QW electric fields, 1D, complex

  • Ey (ndarray) – QW electric fields, 1D, complex

  • Ez (ndarray) – QW electric fields, 1D, complex

  • Vr (ndarray) – QW free charge potential, 1D, complex

  • Px (ndarray) – QW polarizations, 1D, complex

  • Py (ndarray) – QW polarizations, 1D, complex

  • Pz (ndarray) – QW polarizations, 1D, complex

  • Re (ndarray) – QW charge densities, 1D, complex

  • Rh (ndarray) – QW charge densities, 1D, complex

  • sp (str) – Domain label (‘k’ or ‘r’)

  • w (int) – Wire index

  • xxx (int) – Time index

pulsesuite.PSTD3D.qwoptics.WritePropFields(y, Ex, Ey, Ez, Vr, Px, Py, Pz, Re, Rh, sp, w, xxx)

Write propagation field arrays to files.

Parameters:

  • y (ndarray) – Spatial coordinate array, 1D

  • Ex (ndarray) – Propagation electric fields, 1D, complex

  • Ey (ndarray) – Propagation electric fields, 1D, complex

  • Ez (ndarray) – Propagation electric fields, 1D, complex

  • Vr (ndarray) – Propagation free charge potential, 1D, complex

  • Px (ndarray) – Propagation polarizations, 1D, complex

  • Py (ndarray) – Propagation polarizations, 1D, complex

  • Pz (ndarray) – Propagation polarizations, 1D, complex

  • Re (ndarray) – Propagation charge densities, 1D, complex

  • Rh (ndarray) – Propagation charge densities, 1D, complex

  • sp (str) – Space label

  • w (int) – Wire index

  • xxx (int) – Time index