Optical-transition-matrix elements between localized electronic states in disordered one-dimensional systems

1988 ◽  
Vol 37 (11) ◽  
pp. 6105-6112 ◽  
Author(s):  
J. Ingers ◽  
K. Maschke ◽  
S. Proennecke
Keyword(s):  
Transition Matrix ◽  
Optical Transition ◽  
Electronic States ◽  
Matrix Elements ◽  
One Dimensional ◽  
Transition Matrix Elements

OPTICAL TRANSITIONS IN A PARABOLIC GaAs/Ga1-xAlxAs SUPERLATTICES

2001 ◽  
Vol 08 (03n04) ◽  
pp. 321-325
Author(s):  
ŞAKIR ERKOÇ ◽  
HATICE KÖKTEN
Keyword(s):  
Transition Matrix ◽  
Optical Transition ◽  
Matrix Elements ◽  
Electron States ◽  
Parabolic Potential ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Transition Matrix Elements ◽  
Scf Calculations

We have performed self-consistent field (SCF) calculations of the electronic structure of GaAs/Ga 1-x Al x As superlattices with parabolic potential profile within the effective mass theory. We have calculated the optical transition matrix elements involving transitions from the hole states to the electron states, and we have also computed the oscillator strength matrix elements for the transitions among the electron states.

scholarly journals Finite-Field Calculations of Transition Properties by the Fock Space Relativistic Coupled Cluster Method: Transitions between Different Fock Space Sectors

2020 ◽  
Author(s):  
Andrei Zaitsevskii ◽  
Alexander Oleynichenko ◽  
Ephraim Eliav
Keyword(s):  
Finite Field ◽  
Transition Matrix ◽  
Fock Space ◽  
Electronic States ◽  
Radiative Properties ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Matrix Elements ◽  
Transition Dipole ◽  
Transition Matrix Elements

Reliable information on transition matrix elements of various property operators between molecular electronic states is of crucial importance for predicting spectroscopic, electric, magnetic and radiative properties of molecules. The finite-field technique is a simple and rather accurate tool for evaluating transition matrix elements of first-order properties in the frames of the Fock space relativistic coupled cluster approach. We formulate and discuss the extension of this technique to the case of transitions between the electronic states associated with different sectors of the Fock space. Pilot applications to the evaluation of transition dipole moments between the closed-shell-like states (vacuum sector) and those dominated by single excitations of the Fermi vacuum (the $1h1p$ sector) in heavy atoms (Xe, Hg) and simple molecules of heavy element compounds (I${}_2$, TlF) are reported.

scholarly journals Finite-Field Calculations of Transition Properties by the Fock Space Relativistic Coupled Cluster Method: Transitions between Different Fock Space Sectors

Symmetry ◽  
2020 ◽  
Vol 12 (11) ◽  
pp. 1845
Author(s):  
Andréi Zaitsevskii ◽  
Alexander V. Oleynichenko ◽  
Ephraim Eliav
Keyword(s):  
Finite Field ◽  
Transition Matrix ◽  
Fock Space ◽  
Electronic States ◽  
Radiative Properties ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Matrix Elements ◽  
Transition Dipole ◽  
Transition Matrix Elements

Reliable information on transition matrix elements of various property operators between molecular electronic states is of crucial importance for predicting spectroscopic, electric, magnetic and radiative properties of molecules. The finite-field technique is a simple and rather accurate tool for evaluating transition matrix elements of first-order properties in the frames of the Fock space relativistic coupled cluster approach. We formulate and discuss the extension of this technique to the case of transitions between the electronic states associated with different sectors of the Fock space. Pilot applications to the evaluation of transition dipole moments between the closed-shell-like states (vacuum sector) and those dominated by single excitations of the Fermi vacuum (the 1h1p sector) in heavy atoms (Xe and Hg) and simple molecules of heavy element compounds (I2 and TlF) are reported.

Excitons in Low-Dimensional Systems: Conjugated Polymers and Semiconductor Surfaces

1999 ◽  
Vol 579 ◽  
Author(s):  
Michael Rohlfing
Keyword(s):  
Conjugated Polymers ◽  
Transition Matrix ◽  
Optical Transition ◽  
Binding Energies ◽  
Semiconductor Surface ◽  
Matrix Elements ◽  
Excitation Energies ◽  
Transition Matrix Elements ◽  
Low Dimensional ◽  
Excitonic States

ABSTRACTWe investigate the formation of excitons in low-dimensional semiconducting systems. To this end a recently developed ab initio approach is employed to determine the excitation energies and optical transition matrix elements of bound and unbound excitonic states. From these results the optical spectrum can be evaluated. We discuss two classes of low- dimensional prototype materials: conjugated polymers and a semiconductor surface. Due to the reduced dimensionality, the excitonic binding energies are much larger than in con- ventional semiconductors.

scholarly journals Microscopic method for E0 transition matrix elements

2017 ◽  
Vol 95 (1) ◽  
Author(s):  
B. A. Brown ◽  
A. B. Garnsworthy ◽  
T. Kibédi ◽  
A. E. Stuchbery
Keyword(s):  
Transition Matrix ◽  
Matrix Elements ◽  
Microscopic Method ◽  
Transition Matrix Elements
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