Search results for "Quantum Mechanics"

showing 10 items of 2468 documents

Phase diagram of the quarter-filled extended Hubbard model on a two-leg ladder

2000

We investigate the ground-state phase diagram of the quarter-filled Hubbard ladder with nearest-neighbor Coulomb repulsion V using the Density Matrix Renormalization Group technique. The ground-state is homogeneous at small V, a ``checkerboard'' charge--ordered insulator at large V and not too small on-site Coulomb repulsion U, and is phase-separated for moderate or large V and small U. The zero-temperature transition between the homogeneous and the charge-ordered phase is found to be second order. In both the homogeneous and the charge-ordered phases the existence of a spin gap mainly depends on the ratio of interchain to intrachain hopping. In the second part of the paper, we construct an…

Density matrixPhysicsStrongly Correlated Electrons (cond-mat.str-el)Hubbard modelCondensed matter physicsFOS: Physical sciences02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesSpin chainsymbols.namesakeCondensed Matter - Strongly Correlated ElectronsHomogeneous0103 physical sciencessymbolsStrongly correlated materialCondensed Matter::Strongly Correlated Electrons010306 general physics0210 nano-technologyGround stateHamiltonian (quantum mechanics)Phase diagram
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Stripe formation in doped Hubbard ladders

2004

We investigate the formation of stripes in $7\chunks \times 6$ Hubbard ladders with $4\chunks$ holes doped away from half filling using the density-matrix renormalization group (DMRG) method. A parallelized code allows us to keep enough density-matrix eigenstates (up to $m=8000$) and to study sufficiently large systems (with up to $7\chunks = 21$ rungs) to extrapolate the stripe amplitude to the limits of vanishing DMRG truncation error and infinitely long ladders. Our work gives strong evidence that stripes exist in the ground state for strong coupling ($U=12t$) but that the structures found in the hole density at weaker coupling ($U=3t$) are an artifact of the DMRG approach.

Density matrixPhysicsTruncation errorHubbard modelCondensed matter physicsStrongly Correlated Electrons (cond-mat.str-el)Density matrix renormalization groupFOS: Physical sciencesRenormalization groupCondensed Matter PhysicsCoupling (probability)Electronic Optical and Magnetic MaterialsCondensed Matter - Strongly Correlated ElectronsQuantum mechanicsStrongly correlated materialCondensed Matter::Strongly Correlated ElectronsGround state
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Evolution of a Non-Hermitian Quantum Single-Molecule Junction at Constant Temperature

2021

This work concerns the theoretical description of the quantum dynamics of molecular junctions with thermal fluctuations and probability losses. To this end, we propose a theory for describing non-Hermitian quantum systems embedded in constant-temperature environments. Along the lines discussed in [A. Sergi et al., Symmetry 10 518 (2018)], we adopt the operator-valued Wigner formulation of quantum mechanics (wherein the density matrix depends on the points of the Wigner phase space associated to the system) and derive a non-linear equation of motion. Moreover, we introduce a model for a non-Hermitian quantum single-molecule junction (nHQSMJ). In this model the leads are mapped to a tunneling…

Density matrixQuantum dynamicsmolecular junction; non-Hermitian quantum mechanics; open quantum system dynamics; quantum thermodynamics; Quantum Physics; Quantum Physics; 80M99 81-08 81-10 81P99General Physics and AstronomyFOS: Physical scienceslcsh:Astrophysics02 engineering and technology01 natural sciencesArticle81-1003.67.PpQuantum stateQuantum mechanicslcsh:QB460-4660103 physical sciences80M9931.15.xglcsh:Science010306 general physicsQuantum thermodynamicsQuantumnon-Hermitian quantum mechanicsQuantum tunnelling05.30.-dPhysicsQuantum PhysicsOperator (physics)80M99 81-08 81-10 81P9981-08021001 nanoscience & nanotechnologyopen quantum system dynamicslcsh:QC1-99981P99Phase space05.60.Ggquantum thermodynamicslcsh:Q0210 nano-technologyQuantum Physics (quant-ph)molecular junctionlcsh:Physics02.60.Cb
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Time-dependent Landauer-B\"uttiker formalism for superconducting junctions at arbitrary temperatures

2015

We discuss an extension of our earlier work on the time-dependent Landauer--B\"uttiker formalism for noninteracting electronic transport. The formalism can without complication be extended to superconducting central regions since the Green's functions in the Nambu representation satisfy the same equations of motion which, in turn, leads to the same closed expression for the equal-time lesser Green's function, i.e., for the time-dependent reduced one-particle density matrix. We further write the finite-temperature frequency integrals in terms of known special functions thereby considerably speeding up the computation. Numerical simulations in simple normal metal -- superconductor -- normal m…

Density matrixSuperconductivityPhysicsHistoryCondensed Matter - Mesoscale and Nanoscale PhysicsComputationCondensed Matter - SuperconductivityEquations of motionClosed expressionComputer Science ApplicationsEducationSettore FIS/03 - Fisica della MateriaFormalism (philosophy of mathematics)Physics and Astronomy (all)Special functionsQuantum mechanics
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Multiple scattering theory for non-local and multichannel potentials.

2012

International audience; Methodological advances in multiple scattering theory (MST) in both wave and Green's function versions are reported for the calculation of electronic ground and excited state properties of condensed matter systems with an emphasis on core-level photoemission and absorption spectra. Full-potential MST is reviewed and extended to non-local potentials. Multichannel MST is reformulated in terms of the multichannel density matrix whereby strong electron correlation of atomic multiplet type can be accounted for in both ground and excited states.

Density matrix[PHYS]Physics [physics][ PHYS ] Physics [physics]Absorption spectroscopyElectronic correlationChemistry02 engineering and technologyFunction (mathematics)Electron021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesKOHN-ROSTOKER METHODABSORPTION-SPECTRAExcited stateQuantum mechanics0103 physical sciencesMultiple scattering theoryGeneral Materials ScienceELECTRONMETALSAtomic physics010306 general physics0210 nano-technologyMultipletJournal of physics. Condensed matter : an Institute of Physics journal
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Oscillator Strengths of Electronic Excitations with Response Theory using Phase Including Natural Orbital Functionals

2013

The key characteristics of electronic excitations of many-electron systems, the excitation energies ωα and the oscillator strengths fα, can be obtained from linear response theory. In one-electron models and within the adiabatic approximation, the zeros of the inverse response matrix, which occur at the excitation energies, can be obtained from a simple diagonalization. Particular cases are the eigenvalue equations of time-dependent density functional theory (TDDFT), time-dependent density matrix functional theory, and the recently developed phase-including natural orbital (PINO) functional theory. In this paper, an expression for the oscillator strengths fα of the electronic excitations is…

Density matrixta114Chemistryexcitation energytiheysfunktionaaliteoriaGeneral Physics and AstronomyTime-dependent density functional theoryelektronitAdiabatic theoremMatrix (mathematics)Quantum mechanicsExcited stateDensity functional theoryeigenvalues and eigenfunctionsPhysical and Theoretical ChemistryAdiabatic processEigenvalues and eigenvectorsJournal of Chemical Physics
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Entanglement dynamics of two independent cavity-embedded quantum dots

2010

We investigate the dynamical behavior of entanglement in a system made by two solid-state emitters, as two quantum dots, embedded in two separated micro-cavities. In these solid-state systems, in addition to the coupling with the cavity mode, the emitter is coupled to a continuum of leaky modes providing additional losses and it is also subject to a phonon-induced pure dephasing mechanism. We model this physical configuration as a multipartite system composed by two independent parts each containing a qubit embedded in a single-mode cavity, exposed to cavity losses, spontaneous emission and pure dephasing. We study the time evolution of entanglement of this multipartite open system finally …

DephasingFOS: Physical sciencesQuantum entanglementOpen system (systems theory)Settore FIS/03 - Fisica Della MateriaOpen quantum systemsAtomic and Molecular PhysicsQuantum mechanicsMesoscale and Nanoscale Physics (cond-mat.mes-hall)Spontaneous emissionMathematical PhysicsPhysicsQuantum PhysicsCondensed Matter - Mesoscale and Nanoscale PhysicsTime evolutionCondensed Matter PhysicsAtomic and Molecular Physics and Optics; Mathematical Physics; Condensed Matter PhysicsAtomic and Molecular Physics and OpticsMultipartite68.65.Hb Quantum dots (patterned in quantum wells)Quantum dotQubitPhysics::Accelerator Physicsand OpticsQuantum Physics (quant-ph)68.65.Hb Quantum dots (patterned in quantum wells); Open quantum systems
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New Nonlocal Biological Effect: A Preliminary Research

2012

We report here our experimental findings of new nonlocal biological effect measured objectively and quantitatively under blind conditions. The method used includes the steps of providing two parts of quantum-entangled medium, applying one part to a biological system such as a human, contacting the other part with a desired substance such as a medication, and detecting change of a biological parameter with a detecting device. Using this method, we have found that after consumption by a test subject of one part of the quantum entangled water, the subject’s heart rate was non-locally increased under blind conditions by adding to the second part of the quantum-entangled water an over-the-counte…

Developmental NeuroscienceCognitive NeuroscienceHeart rate monitorHeart rateQ Science (General)QC01 Quantum mechanicsR Medicine (General)Test subjectBiological systemBiological effectAtomic and Molecular Physics and OpticsSimulationMathematicsNeuroQuantology
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Quadrupole deformation of Xe-130 measured in a Coulomb-excitation experiment

2020

Physical review / C 102(5), 054304 (2020). doi:10.1103/PhysRevC.102.054304

DiagonalSemiclassical physicsBEAMCoulomb excitationhiukkasfysiikka[PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex]Nuclear Structure530114 Physical sciences01 natural sciencessähkömagneettiset ilmiötnukleonitsymbols.namesakeMatrix (mathematics)NUCLEAR-DATA SHEETS0103 physical sciencesPhenomenological modelNuclear Physics - Experimentddc:530010306 general physicsPhysicsScience & Technology010308 nuclear & particles physicsPhysicsnucleon distributionBohr modelPhysics Nuclearelectromagnetic transitionsSTATESSHAPESQuadrupolePhysical SciencessymbolsAtomic physicsydinfysiikkaHamiltonian (quantum mechanics)
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Selected dissociation‐ and correlation‐consistent configuration interaction by a perturbative criterion

1990

We propose a perturbative criterion to select the most important dissociation‐ or correlation‐consistent type of contributions to perform generalized valence bond‐configuration interaction (GVB‐CI) calculations, dissociation‐consistent configuration interaction (DCCI) or correlation‐consistent configuration interaction (CCCI) approach, respectively. The procedure presented is computationally less demanding than the CCCI proposed by Goddard and co‐workers. To ensure the distance consistency of the MOs used, the nonvalence virtual orbitals are obtained by a projection technique. The results obtained for a few test calculations show the ability of the suggested approach to get close results to…

Diatomic MoleculesValence (chemistry)ChemistryConfiguration Interaction ; Electronic Structure ; Dissociation Energy ; Perturbation Theory ; Diatomic Molecules ; Polyatomic MoleculesGeneral Physics and AstronomyDissociation EnergyElectronic structureConfiguration interactionBond-dissociation energyDiatomic moleculeDissociation (chemistry)Polyatomic MoleculesUNESCO::FÍSICA::Química físicaConfiguration InteractionElectronic StructureAtomic orbitalComputational chemistryPerturbation TheoryPerturbation theory (quantum mechanics)Statistical physicsPhysical and Theoretical Chemistry:FÍSICA::Química física [UNESCO]The Journal of Chemical Physics
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