COULOMB CONTRIBUTION TO THE FORWARD COUPLING CONSTANT - IMPLICATIONS FOR SUPERCONDUCTIVITY

1983 ◽  
Vol 44 (C3) ◽  
pp. C3-991-C3-996 ◽  
Author(s):  
S. Barišić
Keyword(s):  
Coupling Constant ◽  
Coulomb Contribution

Exchange-Correlation Energy Densities and Response Potentials: Connection Between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond

2019 ◽  
Author(s):  
S. Giarrusso ◽  
Paola Gori-Giorgi
Keyword(s):  
Density Functional Theory ◽  
Strong Coupling ◽  
Density Functional ◽  
Correlation Energy ◽  
Order Term ◽  
Strong Coupling Limit ◽  
Local Form ◽  
Coupling Constant ◽  
Functional Theory ◽  
Exchange Correlation

We analyze in depth two widely used definitions (from the theory of conditional probablity amplitudes and from the adiabatic connection formalism) of the exchange-correlation energy density and of the response potential of Kohn-Sham density functional theory. We introduce a local form of the coupling-constant-dependent Hohenberg-Kohn functional, showing that the difference between the two definitions is due to a corresponding local first-order term in the coupling constant, which disappears globally (when integrated over all space), but not locally. We also design an analytic representation for the response potential in the strong-coupling limit of density functional theory for a model single stretched bond.<br>

Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model to Improve Density Function Calculations

2019 ◽  
Author(s):  
Xianghai Sheng ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Density Functional Theory ◽  
Exchange Coupling ◽  
Density Functional ◽  
Spin Crossover ◽  
Coupling Constants ◽  
Spin Projection ◽  
Coupling Constant ◽  
Projection Model ◽  
Functional Theory

This work evaluates the quality of exchange coupling constant and spin crossover gap calculations using density functional theory corrected by the Approximate Projection model. Results show that improvements using the Approximate Projection model range from modest to significant. This study demonstrates that, at least for the class of systems examined here, spin-projection generally improves the quality of density functional theory calculations of J-coupling constants and spin crossover gaps. Furthermore, it is shown that spin-projection can be important for both geometry optimization and energy evaluations. The Approximate Project model provides an affordable and practical approach for effectively correcting spin-contamination errors in molecular exchange coupling constant and spin crossover gap calculations.

scholarly journals Linear Energy Density and the Flux of an Electric Field in Proca Tubes

Symmetry ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 640
Author(s):  
Vladimir Dzhunushaliev ◽  
Vladimir Folomeev ◽  
Abylaikhan Tlemisov
Keyword(s):  
Scalar Field ◽  
Electric Field ◽  
Higgs Field ◽  
Meissner Effect ◽  
Coupling Constant ◽  
Cylindrically Symmetric ◽  
Integral Characteristics ◽  
Energy And Momentum ◽  
Energy And Momentum Densities ◽  
Higgs Scalar

In this work, we study cylindrically symmetric solutions within SU(3) non-Abelian Proca theory coupled to a Higgs scalar field. The solutions describe tubes containing either the flux of a color electric field or the energy flux and momentum. It is shown that the existence of such tubes depends crucially on the presence of the Higgs field (there are no such solutions without this field). We examine the dependence of the integral characteristics (linear energy and momentum densities) on the values of the electromagnetic potentials at the center of the tube, as well as on the values of the coupling constant of the Higgs scalar field. The solutions obtained are topologically trivial and demonstrate the dual Meissner effect: the electric field is pushed out by the Higgs scalar field.

scholarly journals Perturbation Analysis of Quantum Reset Models

2021 ◽  
Vol 183 (1) ◽  
Author(s):  
Géraldine Haack ◽  
Alain Joye
Keyword(s):  
Steady State ◽  
Perturbation Analysis ◽  
Open Quantum Systems ◽  
Quantum Systems ◽  
Markov Semigroup ◽  
Coupling Constant ◽  
Coupling Term ◽  
Open Quantum ◽  
Effective Dynamics ◽  
A Chain

AbstractThis paper is devoted to the analysis of Lindblad operators of Quantum Reset Models, describing the effective dynamics of tri-partite quantum systems subject to stochastic resets. We consider a chain of three independent subsystems, coupled by a Hamiltonian term. The two subsystems at each end of the chain are driven, independently from each other, by a reset Lindbladian, while the center system is driven by a Hamiltonian. Under generic assumptions on the coupling term, we prove the existence of a unique steady state for the perturbed reset Lindbladian, analytic in the coupling constant. We further analyze the large times dynamics of the corresponding CPTP Markov semigroup that describes the approach to the steady state. We illustrate these results with concrete examples corresponding to realistic open quantum systems.

Ground configuration splitting in UCl5

1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon
Keyword(s):  
Crystal Field ◽  
Energy Levels ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Point Charge Model ◽  
X Ray Crystallography ◽  
Charge Model ◽  
Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

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