dipole_moment_matrix_elements{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
Triggers calculation of absolute values and square absolute values of polarization-dependent envelope dipole-moment matrix elements summed over the bases of the selected band models. See our documentation on Matrix elements for the details.
Nested keywords
polarization{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ polarization{ } } } }
Properties
usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
items: no constraints
Functionality
Defines complex polarization versor of the incident light \(\epsilon\) for the model, here based on the Fermi’s golden rule.
polarization{ name }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ polarization{ name = "..." } } } }
Properties
usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: character string
Functionality
Defines suffix for all spectra output files related to the polarization defined in this group.
polarization{ re }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ polarization{ re = [..., ..., ...] } } } }
Properties
usage: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
type: vector of 3 real numbers: \((r_1, r_2, r_3)\)
values: no constraints
default: \(r_1=0.0\), \(r_2=0.0\), \(r_3=0.0\)
unit: \(\mathrm{-}\)
Functionality
Defines real part of the polarization versor \(\polarization\). Normalized vector of unit length is calculated based on both real and imaginary parts, which enters the calculation.
polarization{ im }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ polarization{ im = [..., ..., ...] } } } }
Properties
usage: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
type: vector of 3 real numbers: \((r_1, r_2, r_3)\)
values: no constraints
default: \(r_1=0.0\), \(r_2=0.0\), \(r_3=0.0\)
unit: \(\mathrm{-}\)
Functionality
Defines imaginary part of the polarization versor \(\polarization\). Normalized vector of unit length is calculated based on both real and imaginary parts, which enters the calculation.
all_k_points
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ all_k_points = ... } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: choice
values:
yesornodefault:
yes
Functionality
If all_k_points = yes then matrix elements are outputted for all simulation \(\WaveK\)-points used in integration of densities of states.
Otherwise only \(\WaveK = \VecZero\) is considered.
Gamma{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ Gamma{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{\Gamma \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{\Gamma\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{\Gamma \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{\Gamma\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Gamma_Gamma/dipole_moment_matrix_elements_*.*.
X{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ X{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{X \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{X\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{X \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{X\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/X_X/dipole_moment_matrix_elements_*.*.
Delta{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ Delta{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{\Delta \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{\Delta\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{\Delta \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{\Delta\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/Delta_Delta/dipole_moment_matrix_elements_*.*.
L{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ L{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{L \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{L\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{L \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{L\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/L_L/dipole_moment_matrix_elements_*.*.
HH{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ HH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{HH \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{HH\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{HH \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{HH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/HH_HH/dipole_moment_matrix_elements_*.*.
LH{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ LH{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{LH \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{LH\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{LH \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{LH\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/LH_LH/dipole_moment_matrix_elements_*.*.
SO{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ SO{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\bra{\EnvelopeFunction_{SO \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{SO\Indexn\WaveK}}|\) and \(|\bra{\EnvelopeFunction_{SO \Indexm\WaveK}}\polarization \circ \OpDipole \ket{\EnvelopeFunction_{SO\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/SO_SO/dipole_moment_matrix_elements_*.*.
KP6{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ KP6{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\sum_{\alpha \in \Basis[6]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \OpDipole\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|\) and \(|\sum_{\alpha \in \Basis[6]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \OpDipole\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/kp6_kp6/dipole_moment_matrix_elements_*.*.
KP8{ }
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ KP8{ } } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1
Functionality
If output_matrix_elements is set to yes then calculates \(|\sum_{\alpha \in \Basis[8]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \OpDipole\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|\) and \(|\sum_{\alpha \in \Basis[8]}\bra{\EnvelopeFunction_{\alpha \Indexm\WaveK}}\polarization \circ \OpDipole\ket{\EnvelopeFunction_{\alpha\Indexn\WaveK}}|^2\) and outputs them to bias_*/Quantum/[QUANTUM_REGION_NAME]/kp8_kp8/dipole_moment_matrix_elements_*.*.
output_matrix_elements
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ output_matrix_elements = ... } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: choice
values:
yesornodefault:
yes
Functionality
If output_matrix_elements = yes then matrix elements are saved in in output files bias_*/Quantum/[QUANTUM_REGION_NAME]/[BAND_MODEL]_[BAND_MODEL]/dipole_moment_matrix_elements_*.*.
output_oscillator_strengths
Calling sequence
quantum{ region{ dipole_moment_matrix_elements{ output_oscillator_strengths = ... } } }
Properties
usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: choice
values:
yesornodefault:
no
Functionality
If output_oscillator_strengths = yes then oscillator strengths are saved in output file.
Currently, only a simple formula is used, i.e. the free electron mass is used and not the real effective mass one.
Last update: 2025-08-29