An efficient zero-order description of the fine structure in the infrared reflection band of cubic ionic crystals and the phonon-polariton dispersion using Lorentz gauge

2018 ◽  
Vol 148 (11) ◽  
pp. 114703
Author(s):  
Stefan C. J. Meskers
Keyword(s):  
Fine Structure ◽  
Zero Order ◽  
Ionic Crystals ◽  
Reflection Band ◽  
Lorentz Gauge ◽  
Infrared Reflection

Potential-energy curves, zero-field splittings, and radiative lifetimes for low-lying states of AsH

1987 ◽  
Vol 65 (2) ◽  
pp. 155-164 ◽  
Author(s):  
Toshio Matsushita ◽  
Christel M. Marian ◽  
Rainer Klotz ◽  
Sigrid D. Peyerimhoff
Keyword(s):  
Fine Structure ◽  
Potential Energy ◽  
Ground State ◽  
Zero Order ◽  
Potential Energy Curves ◽  
Basis Set ◽  
Zero Field ◽  
Spin Orbit ◽  
Spin Orbit Interactions ◽  
Π State

Large-scale multireference configuration-interaction (MRD-CI) calculations in an atomic-orbital (AO) basis set containing up to f functions on As and d on hydrogen are employed to study the potential-energy curves of the π2(X3Σ−, a1Δ, b1Σ+), the σ → π, and the π → σ3.1Π states; a large number of σ → σ* states; and the lowest π → s,p Rydberg series. The σ → σ* states are strongly repulsive and exhibit numerous interactions with the Rydberg members causing predissociation. The probabilities for the spin-forbidden transitions from b1Σ+and a1Δ to the X3Σ−ground state as well as the zero-field splittings of theX3Σ−and A3Π states have been evaluated by employing a variational perturbation scheme in which the zero-order wave functions are MRD-CI expansions. The perturber states are determined by their spin-orbit interactions, which are calculated by employing the Breit–Pauli one- and two-electron spin-orbit operator. The radiative lifetime of the b1Σ+ state is predicted to be 0.35 ms, whereby the dominant mechanism is deactivation to the ms = ±1 component.The parallel transition is found to be much weaker. The lifetime of a1Δ is calculated to be 22 ms, whereby the process [Formula: see text] is favored. Both b–X and a–X transitions borrow their intensity primarily from the A3Π–X3Σ− transition and, furthermore, the 1Π–a1Δ and higher 3,1Π state spin-allowed transitions. The probability for the quadrupole b–a transition is evaluated to be three orders of magnitude smaller than the b–X transition. The calculated zero-field splitting of the X3Σ− ground state amounts to 101.4 cm−1, and the fine-structure splitting between the 2, 1, and 0+ components of the A3Π state evaluated to be 544.5 and 674.4 cm−1, respectively, in good accord with experimental results; whereas the calculated Λ doubling of the0+–0− fine-structure levels of the A3Π state (35.2 cm−1 vs. 44.72 cm−1) is too small in the present treatment. The dependence of spin-orbit effects and transition probabilities on AO basis sets and relativistic corrections to the zero-order Hamiltonian are discussed, and it is concluded that lifetime calculations for spin-forbidden processes in first- and second-row molecules can be extended in a fairly straightforward manner to systems with considerable spin-orbit interactions.

scholarly journals Highly Accurate Derivation of the Electron Magnetic Moment Anomaly From Spherical Geometry Using a Single Evaluation

2022 ◽  
Vol 13 (3) ◽  
pp. 30
Author(s):  
Andrew Worsley ◽  
James F. Peters
Keyword(s):  
Fine Structure ◽  
Magnetic Moment ◽  
Geometric Model ◽  
Structure Constant ◽  
Spherical Geometry ◽  
Zero Order ◽  
Fine Structure Constant ◽  
Spherical Bessel Function ◽  
A Value ◽  
Electron Magnetic Moment

The electron magnetic moment anomaly (ae), is normally derived from the fine structure constant using an intricate method requiring over 13,500 evaluations, which is accurate to 11dp. This paper advances the derivation using the fine structure constant and a spherical geometric model for the charge of the electron to reformulate the equation for ae. This highly accurate derivation is also based on the natural log eπ, and the zero-order spherical Bessel function. This determines a value for the electron magnetic moment anomaly accurate to 13 decimal places, which gives a result which is 2 orders of magnitude greater in accuracy than the conventional derivation. Thus, this derivation supersedes the accuracy of the conventional derivation using only a single evaluation.

Fine Structure of Excitonic Lines in Isotropic Ionic Crystals

1972 ◽  
Vol 53 (2) ◽  
pp. K89-K93 ◽  
Author(s):  
B. Stebe ◽  
M. Certier
Keyword(s):  
Fine Structure ◽  
Ionic Crystals

Fine Structure of Platelet Interaction with a New Microcrystalline Collagen Preparation

1974 ◽  
Vol 32 ◽  
pp. 58-59
Author(s):  
W. H. Zucker ◽  
R. G. Mason
Keyword(s):  
Fine Structure ◽  
Platelet Aggregation ◽  
Hydrochloric Acid ◽  
Whole Blood ◽  
Platelet Adhesion ◽  
Hemostatic Agent ◽  
Native Collagen ◽  
Fibrillar Morphology ◽  
Clinical Interest ◽  
New Form

Platelet adhesion initiates platelet aggregation and is an important component of the hemostatic process. Since the development of a new form of collagen as a topical hemostatic agent is of both basic and clinical interest, an ultrastructural and hematologic study of the interaction of platelets with the microcrystalline collagen preparation was undertaken.In this study, whole blood anticoagulated with EDTA was used in order to inhibit aggregation and permit study of platelet adhesion to collagen as an isolated event. The microcrystalline collagen was prepared from bovine dermal corium; milling was with sharp blades. The preparation consists of partial hydrochloric acid amine collagen salts and retains much of the fibrillar morphology of native collagen.

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