Direct measurements of transition dipole matrix elements using optical nutation

1976 ◽  
Vol 64 (4) ◽  
pp. 1733-1740 ◽  
Author(s):  
R. L. Shoemaker ◽  
E. W. Van Stryland
Keyword(s):  
Matrix Elements ◽  
Transition Dipole ◽  
Direct Measurements ◽  
Transition Dipole Matrix

Transition dipole matrix elements for 14NH3 from the line intensities of the 2ν2 and ν4 bands

1984 ◽  
Vol 106 (1) ◽  
pp. 38-55 ◽  
Author(s):  
Š. Urban ◽  
D. Papoušek ◽  
V. Malathy Devi ◽  
B. Fridovich ◽  
Romola D'Cunha ◽  
...  
Keyword(s):  
Matrix Elements ◽  
Transition Dipole ◽  
Line Intensities ◽  
Transition Dipole Matrix

Determination of transition dipole matrix elements for the 266 nm photofragmentation of ∣JKM〉 state-selected CD3I

1995 ◽  
Vol 247 (4-6) ◽  
pp. 564-570 ◽  
Author(s):  
Leonard C. Pipes ◽  
Dae Young Kim ◽  
Nathan Brandstater ◽  
Christopher D. Fuglesang ◽  
Delroy Baugh
Keyword(s):  
Matrix Elements ◽  
Transition Dipole ◽  
Transition Dipole Matrix

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.

scholarly journals Scattering matrices of mineral dust aerosols: a refinement of the refractive index impact

2019 ◽  
Author(s):  
Yifan Huang ◽  
Chao Liu ◽  
Yan Yin ◽  
Lei Bi
Keyword(s):  
Optical Properties ◽  
Radiative Forcing ◽  
Geometric Model ◽  
Model Development ◽  
Scattering Matrix ◽  
Dust Particles ◽  
Matrix Elements ◽  
Direct Measurements ◽  
Geometric Factors ◽  
Scattering Matrix Elements

Abstract. Dust, as one of the most important aerosols, plays a crucial role in the atmosphere by directly scattering and absorbing solar and infrared radiation, while there are significant uncertainties in determining dust optical properties to quantify radiative effects and to retrieve their properties. Both laboratory and in situ measurements show variations in dust refractive indices (RIs), and different RIs have been applied in different numerical studies of model developments, aerosol retrievals, and radiative forcing simulations. This study reveals the importance of the dust RI for the model development of its optical properties. The Koch-fractal polyhedron is used as the modeled geometry, and the pseudo-spectral time domain method and improved geometric-optics method are combined to cover optical property simulations over the entire size range. Our results indicate that the scattering matrix elements of different kinds of dust particles can be reasonably reproduced by choosing appropriate RIs even using a fixed particle geometry. The uncertainty of the RI would greatly affect the determination of the geometric model, as a change in the RI, even in the widely accepted RI range, strongly affects the appropriate shape parameters to reproduce the measured dust phase matrix elements. A further comparison shows that the RI influences the scattering matrix elements differently from geometric factors, and, more specifically, the P11, P12, and P22 elements seem more sensitive to dust RI. In summary, more efforts should be devoted to account for the uncertainties on the dust RI in modeling its optical properties, and the development of corresponding optical models can potentially be simplified by considering only variations over different RIs. Considerably more research, especially from direct measurements, should be carried out to better constrain the uncertainties related to the dust aerosol RIs.

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