Search results for "interaction strength"
showing 9 items of 9 documents
On the Rationalization of Formation of Solvates: Experimental and Computational Study of Solid Forms of Several Nitrobenzoic Acid Derivatives
2020
Analysis of crystal structures, molecular properties, interaction strength in solution and computationally generated non-solvated form solid form landscapes of five chloronitrobenzoic acid isomers ...
Long-range interactions and the sign of natural amplitudes in two-electron systems
2013
In singlet two-electron systems the natural occupation numbers of the one-particle reduced density matrix are given as squares of the natural amplitudes which are defined as the expansion coefficients of the two-electron wave function in a natural orbital basis. In this work we relate the sign of the natural amplitudes to the nature of the two-body interaction. We show that long-range Coulomb-type interactions are responsible for the appearance of positive amplitudes and give both analytical and numerical examples that illustrate how the long-distance structure of the wave function affects these amplitudes. We further demonstrate that the amplitudes show an avoided crossing behavior as func…
Detecting the long-distance structure of the X(3872)
2014
We study the X(3872)-->D^0 \bar D^0 \pi^0 decay within a D \bar D^* molecular picture for the X(3872) state. This decay mode is more sensitive to the long-distance structure of the X(3872) resonance than its J/\psi\pi\pi and J/\psi3\pi decays, which are mainly controlled by the details of the X(3872) wave function at short distances. We show that the D^0 \bar D^0 final state interaction can be important, and that a precise measurement of this partial decay width can provide valuable information on the interaction strength between the D^{(*)} \bar D^{(*)} charm mesons.
Drude weight increase by orbital and repulsive interactions in fermionic ladders
2019
In strictly one-dimensional systems, repulsive interactions tend to reduce particle mobility on a lattice. Therefore, the Drude weight, controlling the divergence at zero-frequency of optical conductivities in perfect conductors, is lower than in non-interacting cases. We show that this is not the case when extending to quasi one-dimensional ladder systems. Relying on bosonization, perturbative and matrix product states (MPS) calculations, we show that nearest-neighbor interactions and magnetic fluxes provide a bias between back- and forward-scattering processes, leading to linear corrections to the Drude weight in the interaction strength. As a consequence, Drude weights counter-intuitivel…
Interaction of two-level systems in amorphous materials with arbitrary phonon fields
2006
To describe the interaction of the two level systems (TLSs) of an amorphous solid with arbitrary strain fields, we introduce a generalization of the standard interaction Hamiltonian. In this new model, the interaction strength depends on the orientation of the TLS with respect to the strain field through a $6\times 6$ symmetric tensor of deformation potential parameters, $[R]$. Taking into account the isotropy of the amorphous solid, we deduce that $[R]$ has only two independent parameters. We show how these two parameters can be calculated from experimental data and we prove that for any amorphous bulk material the average coupling of TLSs with longitudinal phonons is always stronger than …
Effective bias and potentials in steady-state quantum transport: A NEGF reverse-engineering study
2016
Using non-equilibrium Green’s functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state reverse-engineering procedure, the effective potential and bias which reproduce such densities and currents in a non-interacting system have been determined. The role of the effective bias is characterised with the aid of the so-called exchange-correlation bias, recently introduced in a steady-state density-functionaltheory formulation for partitioned systems. We find that the effective bias (or, equivalently, the exchange-correlation bias) depends strongly on th…
Non-linear optical spectra of excitons in polydiacetylene
1992
Abstract Adding long-range Coulomb interactions to the Su-Schrieffer-Heeger model makes it possible to investigate excitonic states in conjugated polymers. Various characteristic features due to these states as well as due to the electron-hole continuum can be found in the calculated non-linear optical susceptibilities. In particular the electroabsorption spectrum and the third harmonic generation intensity and its dependence on the system size are examined. Using only moderate interaction strength, various experiments in polydiacetylene can be interpreted in a consistent way.
Mass measurements of As, Se, and Br nuclei, and their implication on the proton-neutron interaction strength toward the N=Z line
2021
Mass measurements of the $^{69}$As, $^{70,71}$Se and $^{71}$Br isotopes, produced via fragmentation of a $^{124}$Xe primary beam at the FRS at GSI, have been performed with the multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS) of the FRS Ion Catcher with an unprecedented mass resolving power of almost 1,000,000. For the $^{69}$As isotope, this is the first direct mass measurement. A mass uncertainty of 22 keV was achieved with only 10 events. For the $^{70}$Se isotope, a mass uncertainty of 2.6 keV was obtained, corresponding to a relative accuracy of $\delta$m/m = 4.0$\times 10^{-8}$, with less than 500 events. The masses of the $^{71}$Se and $^{71}$Br isotopes were measured…
Merging Features from Green's Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equil…
2016
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-correlation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green's function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.