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J. P. Hansen

Publications and source records attributed to J. P. Hansen.

At least 19 recordsLinked to original sources
arXiv2011

Quantitative modeling of spin relaxation in quantum dots

We use numerically exact diagonalization to calculate the spin-orbit and phonon-induced triplet-singlet relaxation rate in a two-electron quantum dot exposed to a tilted magnetic field. Our scheme includes a three-dimensional description of the quantum dot, the Rashba and the linear and cubic Dresselhaus spin-orbit coupling, the ellipticity of the quantum dot, and the full angular description of the magnetic field. We are able to find reasonable agreement with the experimental results of Meunier et al. [Phys. Rev. Lett. 98, 126601 (2007)] in terms of the singlet-triplet energy splitting and the spin relaxation rate, respectively. We analyze in detail the effects of the spin-orbit factors, magnetic-field angles, and the dimensionality, and discuss the origins of the remaining deviations from the experimental data.

cond-mat.str-el↗
arXiv2010

Fundamental Gates for a Strongly Correlated Two-Electron Quantum Ring

We demonstrate that conditional as well as unconditional basic operations which are prerequisite for universal quantum gates can be performed with almost 100% fidelity within a strongly interacting two-electron quantum ring. Both sets of operations are based on a quantum control algorithm that optimizes a driving electromagnetic pulse for a given quantum gate. The demonstrated transitions occur on a time scale much shorter than typical decoherence times of the system.

cond-mat.mes-hall↗
arXiv2010

Controlled Operations in a Strongly Correlated Two-Electron Quantum Ring

We have analyzed the electronic spectrum and wave function characteristics of a strongly correlated two-electron quantum ring with model parameters close to those observed in experiments. The analysis is based on an exact diagonalization of the Hamiltonian in a large B-spline basis. We propose a new qubit pair for storing quantum information, where one component is stored in the total electron spin and one multivalued "quMbit" is represented by the total angular momentum. In this scheme the controlled NOT (CNOT) quantum gate is demonstrated with near 100% fidelity for a realistic far infrared electromagnetic pulse.

cond-mat.mes-hall↗
arXiv2008

Quantum control theory for coupled 2-electron dynamics in quantum dots

We investigate optimal control strategies for state to state transitions in a model of a quantum dot molecule containing two active strongly interacting electrons. The Schrodinger equation is solved nonperturbatively in conjunction with several quantum control strategies. This results in optimized electric pulses in the THz regime which can populate combinations of states with very short transition times. The speedup compared to intuitively constructed pulses is an order of magnitude. We furthermore make use of optimized pulse control in the simulation of an experimental preparation of the molecular quantum dot system. It is shown that exclusive population of certain excited states leads to a complete suppression of spin dephasing, as was indicated in Nepstad et al. [Phys. Rev. B 77, 125315 (2008)].

quant-ph↗
arXiv2007

Coherent adiabatic theory of two-electron quantum dot molecules in external spin baths

We derive an accurate molecular orbital based expression for the coherent time evolution of a two-electron wave function in a quantum dot molecule where the electrons interact with each other, with external time dependent electromagnetic fields and with a surrounding nuclear spin reservoir. The theory allows for direct numerical modeling of the decoherence in quantum dots due to hyperfine interactions. Calculations result in good agreement with recent singlet-triplet dephasing experiments by Laird et. al. [Phys. Rev. Lett. 97, 056801 (2006)], as well as analytical model calculations. Furthermore, it is shown that using a much faster electric switch than applied in these experiments will transfer the initial state to excited states where the hyperfine singlet-triplet mixing is negligible.

cond-mat.other↗
arXiv2005

Quantum and Classical Calculations of Ground State Properties of Parabolic Quantum Dots

We report calculations for electronic ground states of parabolically confined quantum dots for up to 30 electrons based on the quantum Monte Carlo method. Effects of the electron-electron interaction and the response to a magnetic field are exposed. The wavefunctions and the ground state energies are compared with purely classical calculations performed with a comprehensive Molecular Dynamics code. For the chosen well parameters a close correspondence in the overall shape of electron density distribution is found even for small number of electrons, while the detailed radial distributions show the effects of Pauli principle in the quantal case.

cond-mat.str-el↗
arXiv2005

Coarse-graining diblock copolymer solutions: a macromolecular version of the Widom-Rowlinson model

We propose a systematic coarse-grained representation of block copolymers, whereby each block is reduced to a single ``soft blob'' and effective intra- as well as intermolecular interactions act between centres of mass of the blocks. The coarse-graining approach is applied to simple athermal lattice models of symmetric AB diblock copolymers, in particular to a Widom-Rowlinson-like model where blocks of the same species behave as ideal polymers (i.e. freely interpenetrate), while blocks of opposite species are mutually avoiding walks. This incompatibility drives microphase separation for copolymer solutions in the semi-dilute regime. An appropriate, consistent inversion procedure is used to extract effective inter- and intramolecular potentials from Monte Carlo results for the pair distribution functions of the block centres of mass in the infinite dilution limit.

cond-mat.soft↗
arXiv2005

Exact Nondipole Kramers-Henneberger Form of the Light-Atom Hamiltonian: An Application to Atomic Stabilization and Photoelectron Energy Spectra

The exact nondipole minimal-coupling Hamiltonian for an atom interacting with an explicitly time- and space-dependent laser field is transformed into the rest frame of a classical free electron in the laser field, i.e., into the Kramers-Henneberger frame. The new form of the Hamiltonian is used to study nondipole effects in the high-intensity, high-frequency regime. Fully three dimensional nondipole {\it ab initio} wavepacket calculations show that the ionization probability may decrease for increasing field strength. We identify a unique signature for the onset of this dynamical stabilization effect in the photoelectron spectrum.

physics.atom-ph↗
arXiv2004

From concentration profiles to polymer osmotic equations of state

We show that equilibrium monomer and centre-of-mass concentration profiles of lattice polymers in a gravitational field, computed by Monte-Carlo simulations, provide an accurate and efficient road to the osmotic equation-of-state of polymer solutions, via a straightforward application of the hydrostatic equilibrium condition. The method yields the full equation of state over a wide range of concentrations from a single simulation, and does not suffer from significant finite size effects. It has been applied to self-avoiding walk polymer chains with nearest neighbour monomer attractions, from the good solvent to the theta solvent regimes. The consistency of the method has been carefully checked by varying the strength of the gravitational field.

cond-mat.soft↗
arXiv2004

A density--functional study of interfacial properties of colloid--polymer mixtures

Interfacial properties of colloid--polymer mixtures are examined within an effective one--component representation, where the polymer degrees of freedom are traced out, leaving a fluid of colloidal particles interacting via polymer--induced depletion forces. Restriction is made to zero, one and two--body effective potentials, and a free energy functional is used which treats colloid excluded volume correlations within Rosenfeld's Fundamental Measure Theory, and depletion--induced attraction within first--order perturbation theory. This functional allows a consistent treatment of both ideal and interacting polymers. The theory is applied to surface properties near a hard wall, to the depletion interaction between two walls, and to the fluid--fluid interface of demixed colloid--polymer mixtures. The results of the present theory compare well with predictions of a fully two--component representation of mixtures of colloids and ideal polymers (the Asakura--Oosawa model), and allow a systematic investigation of the effects of polymer--polymer interactions on interfacial properties. In particular, the wall surface tension is found to be significantly larger for interacting than for ideal polymers, while the opposite trend is predicted for the fluid--fluid interfacial tension.

cond-mat.soft↗
arXiv2003

Structure and dielectric properties of polar fluids with extended dipoles: results from numerical simulations

The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a distance $d$ (dipole moment $μ=q d$). Extensive Molecular Dynamics simulations on a high density dipolar fluid are used to analyse the dependence of the pair structure, dielectric constant $\eps$ and dynamics as a function of the ratio $d/σ$ ($\sig$ is the molecular diameter), for a fixed dipole moment $μ$. The point dipole model is found to agree well with the extended dipole model up to $d/\sig \simeq 0.3$. Beyond that ratio, $\eps$ shows a non-trivial variation with $d/\sig$. When $d/\sig>0.6$, a transition is observed towards a hexagonal columnar phase; the corresponding value of the dipole moment, $μ^2/\sig^3 k T=3$, is found to be substantially lower than the value of the point dipole required to drive a similar transition.

cond-mat.stat-mech↗
arXiv2003

Influence of solvent quality on effective pair potentials between polymers in solution

Solutions of interacting linear polymers are mapped onto a system of ``soft'' spherical particles interacting via an effective pair potential. This coarse-graining reduces the individual monomer-level description to a problem involving only the centers of mass (CM) of the polymer coils. The effective pair potentials are derived by inverting the CM pair distribution function, generated in Monte Carlo simulations, using the hypernetted chain (HNC) closure. The method, previously devised for the self-avoiding walk model of polymers in good solvent, is extended to the case of polymers in solvents of variable quality by adding a finite nearest-neighbor monomer-monomer attraction to the previous model and varying the temperature. The resulting effective pair potential is found to depend strongly on temperature and polymer concentration. At low concentration the effective interaction becomes increasingly attractive as the temperature decreases, eventually violating thermodynamic stability criteria. However, as polymer concentration is increased at fixed temperature, the effective interaction reverts to mostly repulsive behavior. These issues help illustrate some fundamental difficulties encountered when coarse-graining complex systems via effective pair potentials.

cond-mat.soft↗
arXiv2002

Non-monotonic variation with salt concentration of the second virial coefficient in protein solutions

The osmotic virial coefficient $B_2$ of globular protein solutions is calculated as a function of added salt concentration at fixed pH by computer simulations of the ``primitive model''. The salt and counter-ions as well as a discrete charge pattern on the protein surface are explicitly incorporated. For parameters roughly corresponding to lysozyme, we find that $B_2$ first decreases with added salt concentration up to a threshold concentration, then increases to a maximum, and then decreases again upon further raising the ionic strength. Our studies demonstrate that the existence of a discrete charge pattern on the protein surface profoundly influences the effective interactions and that non-linear Poisson Boltzmann and Derjaguin-Landau-Verwey-Overbeek (DLVO) theory fail for large ionic strength. The observed non-monotonicity of $B_2$ is compared to experiments. Implications for protein crystallization are discussed.

cond-mat.soft↗
arXiv2002

Relating monomer to centre-of-mass distribution functions in polymer solutions

A relationship between the measurable monomer-monomer structure factor, and the centre-of-mass (CM) structure factor of dilute or semi-dilute polymer solutions is derived from Ornstein-Zernike relations within the ``polymer reference interaction site model'' (PRISM) formalism, by considering the CM of each polymer as an auxiliary site and neglecting direct correlations between the latter and the CM and monomers of neighbouring polymers. The predictions agree well with Monte Carlo data for self-avoiding walk polymers, and are considerably more accurate than the predictions of simple factorization approximations.

cond-mat.soft↗
arXiv2002

Polymer induced depletion potentials in polymer-colloid mixtures

The depletion interactions between two colloidal plates or between two colloidal spheres, induced by interacting polymers in a good solvent, are calculated theoretically and by computer simulations. A simple analytical theory is shown to be quantitatively accurate for case of two plates. A related depletion potential is derived for two spheres; it also agrees very well with direct computer simulations. Theories based on ideal polymers show important deviations with increasing polymer concentration: They overestimate the range of the depletion potential between two plates or two spheres at all densities, with the largest relative change occurring in the dilute regime. They underestimate the well depth at contact for the case of two plates, but overestimate it for two spheres. Depletion potentials are also calculated using a coarse graining approach which represents the polymers as ``soft colloids'': good agreement is found in the dilute regime. Finally, the effect of the polymers on colloid-colloid osmotic virial coefficients is related to phase behavior of polymer-colloid mixtures.

cond-mat.soft↗
arXiv2001

Coarse-graining polymers as soft colloids

We show how to coarse grain polymers in a good solvent as single particles, interacting with density-independent or density-dependent interactions. These interactions can be between the centres of mass, the mid-points or end-points of the polymers. We also show how to extend these methods to polymers in poor solvents and mixtures of polymers. Treating polymers as soft colloids can greatly speed up the simulation of complex many-polymer systems, including polymer-colloid mixtures.

cond-mat.soft↗
arXiv2001

Density profiles and surface tensions of polymers near colloidal surfaces

The surface tension of interacting polymers in a good solvent is calculated theoretically and by computer simulations for a planar wall geometry and for the insertion of a single colloidal hard-sphere. This is achieved for the planar wall and for the larger spheres by an adsorption method, and for smaller spheres by a direct insertion technique. Results for the dilute and semi-dilute regimes are compared to results for ideal polymers, the Asakura-Oosawa penetrable-sphere model, and to integral equations, scaling and renormalization group theories. The largest relative changes with density are found in the dilute regime, so that theories based on non-interacting polymers rapidly break down. A recently developed ``soft colloid'' approach to polymer-colloid mixtures is shown to correctly describe the one-body insertion free-energy and the related surface tension.

cond-mat.soft↗