Thermal partition function of photons and gravitons in a Rindler wedge

The thermal partition function of photons in any covariant gauge and gravitons in the harmonic gauge, propagating in a Rindler wedge, are computed using a local $\zeta$-function regularization approach. The correct Planckian leading order temperature dependence $T^4$ is obtained in both cases. For the photons, the existence of a surface term giving a negative contribution to the entropy is confirmed, as earlier obtained by Kabat, but this term is shown to be gauge dependent in the four-dimensional case and, therefore is discarded. It is argued that similar terms could appear dealing with any integer spin $s\geq 1$ in the massless case and in more general manifolds. Our conjecture is checked in the case of a graviton in the harmonic gauge, where different surface terms also appear, and physically consistent results arise dropping these terms. The results are discussed in relation to the quantum corrections to the black hole entropy.Comment: 29 pages, RevTeX, no figures. Minor errors corrected and a few comments changed since first submission. To be published on Phys.Rev.

Massive scalar field near a cosmic string

The $\zeta$ function of a massive scalar field near a cosmic string is computed and then employed to find the vacuum fluctuation of the field. The vacuum expectation value of the energy-momentum tensor is also computed using a point-splitting approach. The obtained results could be useful also for the case of self-interacting scalar fields and for the finite-temperature Rindler space theory.Comment: 15 pages, standard LaTeX, no figures. Reference [14] correcte

Full configuration interaction approach to the few-electron problem in artificial atoms

We present a new high-performance configuration interaction code optimally designed for the calculation of the lowest energy eigenstates of a few electrons in semiconductor quantum dots (also called artificial atoms) in the strong interaction regime. The implementation relies on a single-particle representation, but it is independent of the choice of the single-particle basis and, therefore, of the details of the device and configuration of external fields. Assuming no truncation of the Fock space of Slater determinants generated from the chosen single-particle basis, the code may tackle regimes where Coulomb interaction very effectively mixes many determinants. Typical strongly correlated systems lead to very large diagonalization problems; in our implementation, the secular equation is reduced to its minimal rank by exploiting the symmetry of the effective-mass interacting Hamiltonian, including square total spin. The resulting Hamiltonian is diagonalized via parallel implementation of the Lanczos algorithm. The code gives access to both wave functions and energies of first excited states. Excellent code scalability in a parallel environment is demonstrated; accuracy is tested for the case of up to eight electrons confined in a two-dimensional harmonic trap as the density is progressively diluted and correlation becomes dominant. Comparison with previous Quantum Monte Carlo simulations in the Wigner regime demonstrates power and flexibility of the method.Comment: RevTeX 4.0, 18 pages, 6 tables, 9 postscript b/w figures. Final version with new material. Section 6 on the excitation spectrum has been added. Some material has been moved to two appendices, which appear in the EPAPS web depository in the published versio

Ambiguity in the evaluation of the effective action on the cone

An ambiguity in the computation of the one-loop effective action for fields living on a cone is illustrated. It is shown that the ambiguity arises due to the non-commutativity of the regularization of ultraviolet and (conical) boundary divergencies.Comment: REVTeX file, 10 pages. Comments on recent papers have been adde

Role of causality in ensuring unconditional security of relativistic quantum cryptography

The problem of unconditional security of quantum cryptography (i.e. the security which is guaranteed by the fundamental laws of nature rather than by technical limitations) is one of the central points in quantum information theory. We propose a relativistic quantum cryptosystem and prove its unconditional security against any eavesdropping attempts. Relativistic causality arguments allow to demonstrate the security of the system in a simple way. Since the proposed protocol does not employ collective measurements and quantum codes, the cryptosystem can be experimentally realized with the present state-of-art in fiber optics technologies. The proposed cryptosystem employs only the individual measurements and classical codes and, in addition, the key distribution problem allows to postpone the choice of the state encoding scheme until after the states are already received instead of choosing it before sending the states into the communication channel (i.e. to employ a sort of ``antedate'' coding).Comment: 9 page

Competing mechanisms for singlet-triplet transition in artificial molecules

We study the magnetic field induced singlet/triplet transition for two electrons in vertically coupled quantum dots by exact diagonalization of the Coulomb interaction. We identify the different mechanisms occurring in the transition, involving either in-plane correlations or localization in opposite dots, depending on the field direction. Therefore, both spin and orbital degrees of freedom can be manipulated by field strength and direction. The phase diagram of realistic devices is determined.Comment: To appear in Phys. Rev. B - Rapid Comm. - 5 pages, 3 figure

Density functional theory based molecular dynamics study of solution composition effects on the solvation shell of metal ions

We present an ab initio molecular dynamics study of the alkali metal ions Li+, Na+, K+ and Cs+, and of the alkaline earth metal ions Mg2+ and Ca2+ in both pure water and electrolyte solutions containing the counterions Cl- and SO42-. Simulations were conducted using different density functional theory methods (PBE, BLYP and revPBE), with and without the inclusion of dispersion interactions (-D3). Analysis of the ion-water structure and interaction strength, water exchange between the first and second hydration shell, and hydrogen bond network and low-frequency reorientation dynamics around the metal ions have been used to characterise the influence of solution composition on the ionic solvation shell. Counterions affect the properties of the hydration shell not only when they are directly coordinated to the metal ion, but also when they are at the second coordination shell. Chloride ions reduce the sodium hydration shell and expand the calcium hydration shell by stabilizing under-coordinated hydrated Na(H2O)5+ complexes and over-coordinated Ca(H2O)72+. The same behaviour is observed in CaSO4(aq), where Ca2+ and SO42- form almost exclusively solvent-shared ion pairs. Water exchange between the first and second hydration shell around Ca2+ in CaSO4(aq) is drastically decelerated compared with the simulations of the hydrated metal ion (single Ca2+, no counterions). Velocity autocorrelation function analysis, used to probe the strength of the local ion-water interaction, shows a smoother decay of Mg2+ in MgCl2(aq), which is a clear indication of a looser inter-hexahedral vibration in the presence of chloride ions located in the second coordination shell of Mg2+. The hydrogen bond statistics and orientational dynamics in the ionic solvation shell show that the influence on the water-water network cannot only be ascribed to the specific cation-water interaction, but also to the subtle interplay between the level of hydration of the ions, and the interactions between ions, especially those of opposite charge. As many reactive processes involving solvated metal ions occur in environments that are far from pure water but rich in ions, this computational study shows how the solution composition can result in significant differences in behaviour and function of the ionic solvation shell

Hydrogen-bond structure and low-frequency dynamics of electrolyte solutions: Hydration numbers from ab Initio water reorientation dynamics and dielectric relaxation spectroscopy

We present an atomistic simulation scheme for the determination of the hydration number (h) of aqueous electrolyte solutions based on the calculation of the water dipole reorientation dynamics. In this methodology, the time evolution of an aqueous electrolyte solution generated from ab initio molecular dynamics simulations is used to compute the reorientation time of different water subpopulations. The value of h is determined by considering whether the reorientation time of the water subpopulations is retarded with respect to bulk-like behavior. The application of this computational protocol to magnesium chloride (MgCl2 ) solutions at different concentrations (0.6-2.8 mol kg-1 ) gives h values in excellent agreement with experimental hydration numbers obtained using GHz-to-THz dielectric relaxation spectroscopy. This methodology is attractive because it is based on a well-defined criterion for the definition of hydration number and provides a link with the molecular-level processes responsible for affecting bulk solution behavior. Analysis of the ab initio molecular dynamics trajectories using radial distribution functions, hydrogen bonding statistics, vibrational density of states, water-water hydrogen bonding lifetimes, and water dipole reorientation reveals that MgCl2 has a considerable influence on the hydrogen bond network compared with bulk water. These effects have been assigned to the specific strong Mg-water interaction rather than the Cl-water interaction