Search results for "LIMIT"
showing 10 items of 2826 documents
Robust quantum control by a single-shot shaped pulse
2013
Considering the problem of the control of a two-state quantum system by an external field, we establish a general and versatile method allowing the derivation of smooth pulses which feature the properties of high fidelity, robustness, and low area. Such shaped pulses can be interpreted as a single-shot generalization of the composite pulse-sequence technique with a time-dependent phase.
Convergence of Nuclear Magnetic Shieldings in the Kohn-Sham Limit for Several Small Molecules.
2015
Convergence patterns and limiting values of isotropic nuclear magnetic shieldings were studied for several small molecules (N2, CO, CO2, NH3, CH4, C2H2, C2H4, C2H6, and C6H6) in the Kohn-Sham limit. Individual results of calculations using dedicated families of Jensen's basis sets (pcS-n and pcJ-n) were fitted toward the complete basis set limit (CBS) using a simple two-parameter formula. Several density functionals were used; calculated vibrational corrections (ZPV) applied; and, for comparison purposes, similar calculations performed using RHF, MP2, SOPPA, SOPPA(CCSD), and CCSD(T) methods and additionally, the aug-cc-pVTZ-J basis set. Finally, the CBS estimated results were critically com…
Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.
2007
In this paper we present a parallel adaptation of a highly efficient coupled-cluster algorithm for calculating coupled-cluster singles and doubles (CCSD) and coupled-cluster singles and doubles augmented by a perturbative treatment of triple excitations (CCSD(T)) energies, gradients, and, for the first time, analytic second derivatives. A minimal-effort strategy is outlined that leads to an amplitude-replicated, communication-minimized implementation by parallelizing the time-determining steps for CCSD and CCSD(T). The resulting algorithm is aimed at affordable cluster architectures consisting of compute nodes with sufficient memory and local disk space and that are connected by standard co…
Tenth Peregrine breather solution to the NLS equation
2015
We go on in this paper, in the study of the solutions of the focusing NLS equation. With a new representation given in a preceding paper, a very compact formulation without limit as a quotient of two determinants, we construct the Peregrine breather of order N=10. The explicit analytical expression of the Akhmediev's solution is completely given.
Electromagnetic form factors and axial charge of the nucleon from Nf = 2 + 1 Wilson fermions
2018
We present an update on our determination of the electromagnetic form factors and axial charge of the nucleon from theNf= 2 + 1 CLS ensembles with increased statistics and an additional finer lattice spacing. We also investigate the impact ofO(a)-improvement of the currents.
Elastic constants from microscopic strain fluctuations
1999
Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse- grained by averaging them within subsystems (of size $L_b$) of a system (of total size $L$) in the canonical ensemble. Using a simple finite size scaling theory we predict the behaviour of the fluctuations $$ as a function of $L_b/L$ and extract elastic constants of the system {\em in the thermodynamic limit} at nonzero temperature. Our method is simple to implement, efficient and general e…
Monte Carlo studies of finite-size effects at first-order transitions
1990
Abstract First-order phase transitions are ubiquitous in nature but their presence is often uncertain because of the effects which finite size has on all transitions. In this article we consider a general treatment of size effects on lattice systems with discrete degrees of freedom and which undergo a first-order transition in the thermodynamic limit. We review recent work involving studies of the distribution functions of the magnetization and energy at a first-order transition in a finite sample of size N connected to a bath of size N′. Two cases: N′ = ∞ and N′ = finite are considered. In the former (canonical ensemble) case, the distributions are approximated by a superposition of Gaussi…
Oscillator realization of the q-deformed anti-de Sitter algebra
1992
Abstract We construct a realization of the q-deformed anti-de Sitter algebra in terms of two q-oscillators. We use the standard Drinfel'd-Jimbo prescription for the q-deformation of the Chevalley basis which we express in terms of q-oscillators. We also discuss the anti-de Sitter radius R → ∞ limit and the structure of the first so (3, 2)q Casimir operator.
Numerical evidence of hyperscaling violation in wetting transitions of the random-bond Ising model in d = 2 dimensions
2017
We performed extensive simulations of the random-bond Ising model confined between walls where competitive surface fields act. By properly taking the thermodynamic limit we unambiguously determined wetting transition points of the system, as extrapolation of localization-delocalization transitions of the interface between domains of different orientation driven by the respective fields. The finite-size scaling theory for wetting with short-range fields establishes that the average magnetization of the sample, with critical exponent β, is the proper order parameter for the study of wetting. While the hyperscaling relationship given by γ+2β=ν +ν requires β=1/2 (γ=4, ν =3, and ν =2), the therm…
From kinks to compactonlike kinks
1998
We show that, in the continuum limit, the generalized \ensuremath{\Phi}-four or double-well model with nonlinear coupling can exhibit compactonlike kink solutions for some specific velocity regimes and when the nonlinear coupling between pendulums is dominant. Our numerical simulations point out that the static compacton is stable and the dynamic compacton is unstable. Our study is extended to other topological systems where compacton solutions can also be found. A nice feature is that a mechanical analog of the double-well system can be constructed in the form of an experimental lattice of coupled pendulums, which, in the strong coupling limit, allows the observation of these entities.