Search results for "ATOMS"
showing 10 items of 208 documents
Comparison of electron density properties in frozen and relaxed electronic distributions.
2003
Two kinds of electron densities for several small molecules (H(2), FH, CH(3)CH(3), CH(3)NH(2), CH(3)OH, and CH(3)F) have been generated for a wide range of bond distances. The first one, as the sum of the electron density of the isolated fragments, and the second one by optimizing the electron density at each given geometrical disposition. A number of properties of this two electronic distributions have been compared (position of the bond critical points, electron density, Laplacian, curvatures, and local energies). The differences, associated to the bond formation, are found to be very important for most of the cases.
Fulde-Ferrell-Larkin-Ovchinnikov pairing in one-dimensional optical lattices
2008
Spin-polarized attractive Fermi gases in one-dimensional (1D) optical lattices are expected to be remarkably good candidates for the observation of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phase. We model these systems with an attractive Hubbard model with population imbalance. By means of the density-matrix renormalization-group method, we compute the pairing correlations as well as the static spin and charge structure factors in the whole range from weak to strong coupling. We demonstrate that pairing correlations exhibit quasi-long-range order and oscillations at the wave number expected from the FFLO theory. However, we also show by numerically computing the mixed spin-charge static …
Search for New Physics with Atoms and Molecules
2017
This article reviews recent developments in tests of fundamental physics using atoms and molecules, including the subjects of parity violation, searches for permanent electric dipole moments, tests of the CPT theorem and Lorentz symmetry, searches for spatiotemporal variation of fundamental constants, tests of quantum electrodynamics, tests of general relativity and the equivalence principle, searches for dark matter, dark energy and extra forces, and tests of the spin-statistics theorem. Key results are presented in the context of potential new physics and in the broader context of similar investigations in other fields. Ongoing and future experiments of the next decade are discussed.
2-qubit quantum state transfer in spin chains and cold atoms with weak links
2017
In this paper we discuss the implementation of 2-qubit quantum state transfer (QST) in inhomogeneous spin chains where the sender and the receiver blocks are coupled through the bulk channel via weak links. The fidelity and the typical timescale of the QST are discussed as a function of the parameters of the weak links. Given the possibility of implementing with cold atoms in optical lattices a variety of condensed matter systems, including spin systems, we also discuss the possible implementation of the discussed 2-qubit QST with cold gases with weak links, together with a discussion of the applications and limitations of the presented results.
Computer Simulations and Coarse-Grained Molecular Models Predicting the Equation of State of Polymer Solutions
2010
Monte Carlo and molecular dynamics simulations are, in principle, powerful tools for carrying out the basic task of statistical thermodynamics, namely the prediction of macroscopic properties of matter from suitable models of effective interactions between atoms and molecules. The state of the art of this approach is reviewed, with an emphasis on solutions of rather short polymer chains (such as alkanes) in various solvents. Several methods of constructing coarse-grained models of the simple bead–spring type will be mentioned, using input either from atomistic models (considering polybutadiene as an example) or from experiment. Also, the need to have corresponding coarse-grained models of t…
Molecular, Supramolecular Structures Combined with Hirshfeld and DFT Studies of Centrosymmetric M(II)-azido {M=Ni(II), Fe(II) or Zn(II)} Complexes of…
2021
The supramolecular structures of the three metal (II) azido complexes [Fe(4bzpy)4(N3)2]
New constraints on axion-mediated P , T -violating interaction from electric dipole moments of diamagnetic atoms
2018
The exchange of an axionlike particle between atomic electrons and the nucleus may induce electric dipole moments (EDMs) of atoms and molecules. This interaction is described by a parity- and time-reversal-invariance-violating potential which depends on the product of a scalar ${g}^{s}$ and a pseudoscalar ${g}^{p}$ coupling constant. We consider the interaction with the specific combination of these constants, ${g}_{e}^{s}{g}_{N}^{p}$, which gives significant contributions to the EDMs of diamagnetic atoms. In this paper, we calculate these contributions to the EDMs of $^{199}\mathrm{Hg}$, $^{129}\mathrm{Xe}$, $^{211}\mathrm{Rn}$, and $^{225}\mathrm{Ra}$ for a wide range of axion masses. Com…
Optomechanical Rydberg-atom excitation via dynamic Casimir-Polder coupling
2014
We study the optomechanical coupling of a oscillating effective mirror with a Rydberg atomic gas, mediated by the dynamical atom-mirror Casimir-Polder force. This coupling may produce a near-field resonant atomic excitation whose probability scales as $\propto (d^2\;a\;n^4\;t)^2/z_0^8$, where $z_0$ is the average atom-surface distance, $d$ the atomic dipole moment, $a$ the mirror's effective oscillation amplitude, $n$ the initial principal quantum number, and $t$ the time. We propose an experimental configuration to realize this system with a cold atom gas trapped at a distance $\sim 2\cdot10 \, \mu$m from a semiconductor substrate, whose dielectric constant is periodically driven by an ext…
A Fatty Acid Based Bayesian Approach for Inferring Diet in Aquatic Consumers
2015
We modified the stable isotope mixing model MixSIR to infer primary producer contributions to consumer diets based on their fatty acid composition. To parameterize the algorithm, we generated a 'consumer-resource library' of FA signatures of Daphnia fed different algal diets, using 34 feeding trials representing diverse phytoplankton lineages. This library corresponds to the resource or producer file in classic Bayesian mixing models such as MixSIR or SIAR. Because this library is based on the FA profiles of zooplankton consuming known diets, and not the FA profiles of algae directly, trophic modification of consumer lipids is directly accounted for. To test the model, we simulated hypothet…
Time propagation of the Kadanoff–Baym equations for inhomogeneous systems
2009
We have developed a time propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the presence of time-dependent external fields. The external fields are treated nonperturbatively whereas the many-body interactions are incorporated perturbatively using Phi-derivable self-energy approximations that guarantee the satisfaction of the macroscopic conservation laws of the system. These approximations are discussed in detail for the time-dependent Hartree-Fock, the second Born and the GW approximation.