Search results for "Degenerate energy levels"

showing 10 items of 221 documents

Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids

2018

The critical points analysis of electron density,i.e. ρ(x), fromab initiocalculations is used in combination with the catastrophe theory to show a correlation between ρ(x) topology and the appearance of instability that may lead to transformations of crystal structures, as a function of pressure/temperature. In particular, this study focuses on the evolution of coalescing non-degenerate critical points,i.e. such that ∇ρ(xc) = 0 and λ1, λ2, λ3≠ 0 [λ being the eigenvalues of the Hessian of ρ(x) atxc], towards degenerate critical points,i.e. ∇ρ(xc) = 0 and at least one λ equal to zero. The catastrophe theory formalism provides a mathematical tool to model ρ(x) in the neighbourhood ofxcand allo…

Hessian matrixElectron densitycatastrophe theory010504 meteorology & atmospheric sciencesCondensed Matter Physic010502 geochemistry & geophysics01 natural sciencesBiochemistryInstabilityInorganic Chemistrysymbols.namesakeStructural BiologyAb initio quantum chemistry methodsGeneral Materials Sciencephase/state transitions in crystalPhysical and Theoretical Chemistryphase/state transitions in crystalsEigenvalues and eigenvectors0105 earth and related environmental sciencesPhysicsab initio calculationelectron-density critical pointCondensed matter physicsab initio calculationsDegenerate energy levelsCondensed Matter PhysicsGibbs free energyelectron-density critical points catastrophe theory phase/state transitions in crystals ab initio calculations.symbolsMaterials Science (all)Catastrophe theoryelectron-density critical points
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Horizon geometry, duality and fixed scalars in six dimensions

1998

We consider the problem of extremizing the tension for BPS strings in D=6 supergravities with different number of supersymmetries. General formulae for fixed scalars and a discussion of degenerate directions is given. Quantized moduli, according to recent analysis, are supposed to be related to conformal field theories which are the boundary of three dimensional anti-de Sitter space time.

High Energy Physics - TheoryPhysicsNuclear and High Energy PhysicsHorizonSpace timeDegenerate energy levelsFOS: Physical sciencesBoundary (topology)Duality (optimization)FísicaField (mathematics)Conformal mapModuliGeneral Relativity and Quantum CosmologyHigh Energy Physics::TheoryHigh Energy Physics - Theory (hep-th)Particle Physics - TheoryMathematical physics
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Measurements of ground-state properties for nuclear structure studies by precision mass and laser spectroscopy

2011

Atomic physics techniques like Penning-trap and storage-ring mass spectrometry as well as laser spectroscopy have provided sensitive high-precision tools for detailed studies of nuclear ground-state properties far from the valley of β-stability. Mass, moment and nuclear charge radius measurements in long isotopic and isotonic chains have allowed extraction of nuclear structure information such as halos, shell and subshell closures, the onset of deformation, and the coexistence of nuclear shapes at nearly degenerate energies. This review covers experimental precision techniques to study nuclear ground-state properties and some of the most recent results for nuclear structure studies.

HistoryChemistryNuclear TheoryDegenerate energy levelsNuclear structureRadiusMass spectrometryEffective nuclear chargeComputer Science ApplicationsEducationMoment (physics)Physics::Atomic PhysicsAtomic physicsNuclear ExperimentGround stateSpectroscopyJournal of Physics: Conference Series
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Two-photon laser dynamics.

1995

Degenerate as well as nondegenerate three-level two-photon laser (TPL) models are derived. In the limit of equal cavity losses for both fields, it is shown that the nondegenerate model reduces to the degenerate one. We also demonstrate the isomorphism existing between our degenerate TPL model and that of a dressed-state TPL. All these models contain ac-Stark and population-induced shifts at difference from effective Hamiltonian models. The influence of the parameters that control these shifts on the nonlinear dynamics of a TPL is investigated. In particular, the stability of the periodic orbits that arise at the Hopf bifurcation of the system and the extension of the self-pulsing domains of…

Hopf bifurcationPhysicssymbols.namesakeNonlinear systemPitchfork bifurcationQuantum mechanicsDegenerate energy levelssymbolsHomoclinic bifurcationSaddle-node bifurcationIsomorphismAtomic and Molecular Physics and OpticsHamiltonian (control theory)Physical review. A, Atomic, molecular, and optical physics
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The Low-Lying Excited States of 2,2′-Bithiophene: A Theoretical Analysis

2004

The low-energy region of the singlet →singlet, singlet →triplet, and triplet→triplet electronic spectra of 2,2'-bithiophene are studied using multiconfigurational second-order perturbation theory (CASPT2) and extended atomic natural orbitals (ANO) basis sets. The computed vertical, adiabatic, and emission transition energies are in agreement with the available experimental data. The two lowest singlet excited states, 1 1 B u and 2'B u , are computed to be degenerate, a novel feature of the system to be borne in mind during the rationalization of its photophysics. As regards the observed high triplet quantum yield of the molecule, it is concluded that the triplet states 2 3 A g and 2 3 B u ,…

Intersystem crossingAtomic orbitalComputational chemistryChemistryExcited stateDegenerate energy levelsSinglet fissionQuantum yieldSinglet statePhysical and Theoretical ChemistryAtomic physicsPerturbation theoryAtomic and Molecular Physics and OpticsChemPhysChem
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Approximate renormalization-group transformation for Hamiltonian systems with three degrees of freedom

1999

We construct an approximate renormalization transformation that combines Kolmogorov-Arnold-Moser (KAM)and renormalization-group techniques, to analyze instabilities in Hamiltonian systems with three degrees of freedom. This scheme is implemented both for isoenergetically nondegenerate and for degenerate Hamiltonians. For the spiral mean frequency vector, we find numerically that the iterations of the transformation on nondegenerate Hamiltonians tend to degenerate ones on the critical surface. As a consequence, isoenergetically degenerate and nondegenerate Hamiltonians belong to the same universality class, and thus the corresponding critical invariant tori have the same type of scaling prop…

KAM TORI; RENORMALIZATION GROUP; STRANGE ATTRACTORSDegenerate energy levelsFOS: Physical sciencesKAM TORIRenormalization groupNonlinear Sciences - Chaotic DynamicsStrange nonchaotic attractorSTRANGE ATTRACTORSHamiltonian systemNonlinear Sciences::Chaotic DynamicsRenormalizationTransformation (function)RENORMALIZATION GROUPQuantum mechanicsChaotic Dynamics (nlin.CD)Invariant (mathematics)Settore MAT/07 - Fisica MatematicaMathematics::Symplectic GeometryScalingMathematicsMathematical physicsPhysical Review E
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Degenerate Riemann theta functions, Fredholm and wronskian representations of the solutions to the KdV equation and the degenerate rational case

2021

International audience; We degenerate the finite gap solutions of the KdV equation from the general formulation given in terms of abelian functions when the gaps tend to points, to get solutions to the KdV equation given in terms of Fredholm determinants and wronskians. For this we establish a link between Riemann theta functions, Fredholm determinants and wronskians. This gives the bridge between the algebro-geometric approach and the Darboux dressing method.We construct also multi-parametric degenerate rational solutions of this equation.

KdV equationPure mathematicsGeneral Physics and AstronomyFredholm determinantTheta function01 natural sciencessymbols.namesakeWronskians[MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph]Fredholm determinant0103 physical sciencesRiemann theta functions0101 mathematicsAbelian group010306 general physicsKorteweg–de Vries equationMathematical PhysicsMathematicsWronskianRiemann surface010102 general mathematicsDegenerate energy levelsRiemann hypothesisNonlinear Sciences::Exactly Solvable and Integrable SystemsRiemann surfacesymbolsGeometry and Topology
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Anisotropic double exchange in orbitally degenerate mixed valence systems

2000

Abstract The problem of the double exchange is considered for the mixed valence dimers in which one or both transition metal ions possess orbitally degenerate ground states. In the pseudo-angular momentum representation, the general formula is deduced for the matrix elements of double exchange involving the transfer integrals and all spin and orbital quantum numbers. The pairs 3 T 1 t 2 2 – 2 T 2 t 2 1 and 3 T 1 t 2 2 – 4 A 2 t 2 3 are considered in three high-symmetric topologies: edge-shared D2h, corner-shared D4h, and face-shared D3h bioctahedra. The double exchange in orbitally degenerate systems is shown to produce strong magnetic anisotropy of an orbital nature. The character of the a…

Magnetic anisotropyValence (chemistry)Condensed matter physicsChemistryMetal ions in aqueous solutionDegenerate energy levelsGeneral Physics and AstronomyPhysical and Theoretical ChemistryAnisotropyQuantum numberTransition metal ionsChemical Physics
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Boundary regularity for degenerate and singular parabolic equations

2013

We characterise regular boundary points of the parabolic $p$-Laplacian in terms of a family of barriers, both when $p>2$ and $1<p<2$. Due to the fact that $p\not=2$, it turns out that one can multiply the $p$-Laplace operator by a positive constant, without affecting the regularity of a boundary point. By constructing suitable families of barriers, we give some simple geometric conditions that ensure the regularity of boundary points.

Mathematics - Analysis of PDEsSimple (abstract algebra)Applied MathematicsDegenerate energy levelsMathematical analysis35K20 31B25 35B65 35K65 35K67 35K92FOS: MathematicsBoundary (topology)Mathematics::Spectral TheoryParabolic partial differential equationAnalysisMathematicsAnalysis of PDEs (math.AP)
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Gradient regularity for elliptic equations in the Heisenberg group

2009

Abstract We give dimension-free regularity conditions for a class of possibly degenerate sub-elliptic equations in the Heisenberg group exhibiting super-quadratic growth in the horizontal gradient; this solves an issue raised in [J.J. Manfredi, G. Mingione, Regularity results for quasilinear elliptic equations in the Heisenberg group, Math. Ann. 339 (2007) 485–544], where only dimension dependent bounds for the growth exponent are given. We also obtain explicit a priori local regularity estimates, and cover the case of the horizontal p-Laplacean operator, extending some regularity proven in [A. Domokos, J.J. Manfredi, C 1 , α -regularity for p-harmonic functions in the Heisenberg group for …

Mathematics - Differential GeometryMathematics(all)Pure mathematicsp-LaplaceanGeneral MathematicsOperator (physics)Mathematical analysisDegenerate energy levelsHeisenberg groupWeak solutions35J60RegularityElliptic operatorMathematics - Analysis of PDEsDifferential Geometry (math.DG)Cover (topology)Euclidean geometryFOS: MathematicsHeisenberg groupExponentLinear equationAnalysis of PDEs (math.AP)MathematicsAdvances in Mathematics
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