Search results for "basis"
showing 10 items of 760 documents
Solution of universal nonrelativistic nuclear DFT equations in the Cartesian deformed harmonic-oscillator basis. (IX) HFODD (v3.06h) : a new version …
2021
We describe the new version (v3.06h) of the code HFODD that solves the universal nonrelativistic nuclear DFT Hartree-Fock or Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we implemented the following new features: (i) zero-range three- and four-body central terms, (ii) zero-range three-body gradient terms, (iii) zero-range tensor terms, (iv) zero-range isospin-breaking terms, (v) finite-range higher-order regularized terms, (vi) finite-range separable terms, (vii) zero-range two-body pairing terms, (viii) multi-quasiparticle blocking, (ix) Pfaffian overlaps, (x) particle-number and parity symmetry restoration, (xi) axializatio…
White paper: from bound states to the continuum
2020
This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program ‘From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory’. One of the biggest and most important frontiers in nuclear theory today is to construct better and stronger bridges between bound state calculations and calculations in the continuum, especially scattering and reaction theory, as well as teasing out the influence of the continuum on states near threshold. This is particularly challenging as many-body structure calculations typically use a bound state basis, while reaction calculations more commonly utili…
Comparison of full-configuration interaction and coupled-cluster harmonic and fundamental frequencies for BH and HF
2001
The harmonic and fundamental frequencies are calculated for the potential-energy curves of BH and HF using the full-configuration interaction model and two hierarchies of coupled-cluster wavefunction models. The anharmonic contributions are also obtained using second-order vibrational perturbation theory. A consistent and systematic improvement is seen for both the harmonic and anharmonic contributions when increasing the level of the correlation treatment. The changes are largest for the harmonic contributions. This is also the case when including valence or diffuse functions in the basis set. Second-order perturbation theory gives a good approximation to the anharmonic contribution and in…
Unified Analysis of Periodization-Based Sampling Methods for Matérn Covariances
2020
The periodization of a stationary Gaussian random field on a sufficiently large torus comprising the spatial domain of interest is the basis of various efficient computational methods, such as the ...
On the reconstruction of discontinuous functions using multiquadric RBF–WENO local interpolation techniques
2020
Abstract We discuss several approaches involving the reconstruction of discontinuous one-dimensional functions using parameter-dependent multiquadric radial basis function (MQ-RBF) local interpolants combined with weighted essentially non-oscillatory (WENO) techniques, both in the computation of the locally optimized shape parameter and in the combination of RBF interpolants. We examine the accuracy of the proposed reconstruction techniques in smooth regions and their ability to avoid Gibbs phenomena close to discontinuities. In this paper, we propose a true MQ-RBF–WENO method that does not revert to the classical polynomial WENO approximation near discontinuities, as opposed to what was pr…
Characterization of greedy bases in Banach spaces
2017
Abstract We shall present a new characterization of greedy bases and 1-greedy bases in terms of certain functionals defined using distances to one dimensional subspaces generated by the basis. We also introduce a new property that unifies the notions of unconditionality and democracy and allows us to recover a better dependence on the constants.
Exponential convergence andH-c multiquadric collocation method for partial differential equations
2003
The radial basis function (RBF) collocation method uses global shape functions to interpolate and collocatethe approximate solution of PDEs. It is a truly meshless method as compared to some of the so-calledmeshless or element-free finite element methods. For the multiquadric and Gaussian RBFs, there are twoways to make the solution converge—either by refining the mesh size
State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve.
2004
We study the nitrogen binding curve with the density matrix renormalization group (DMRG) and single-reference and multireference coupled cluster (CC) theory. Our DMRG calculations use up to 4000 states and our single-reference CC calculations include up to full connected hextuple excitations. Using the DMRG, we compute an all-electron benchmark nitrogen binding curve, at the polarized, valence double-zeta level (28 basis functions), with an estimated accuracy of 0.03mE_h. We also assess the performance of more approximate DMRG and CC theories across the nitrogen curve. We provide an analysis of the relative strengths and merits of the DMRG and CC theory under different correlation condition…
Moisture dependence on mechanical properties of pine nuts from Pinus pinea L.
2012
Abstract Mechanical properties of pine nut shell are very important in the cracking process. Before industrial cracking shell moisture is adjusted by water soaking in order to avoid the breaking up of the nuts. In this work the moisture dependence of the mechanical properties of pine nut shells were studied in order to improve the industrial cracking process. Relationship between nut size and moisture content was studied and no significant differences were found for shell dimensions at four different moisture levels, 9.79%, 16.71%, 20.98% and 25.05% (dry basis). Compression tests were carried out on pine nuts at nine different moisture contents between 1.38% and 25.48% (db) and their main m…
Classification and retrieval on macroinvertebrate image databases
2011
Aquatic ecosystems are continuously threatened by a growing number of human induced changes. Macroinvertebrate biomonitoring is particularly efficient in pinpointing the cause-effect structure between slow and subtle changes and their detrimental consequences in aquatic ecosystems. The greatest obstacle to implementing efficient biomonitoring is currently the cost-intensive human expert taxonomic identification of samples. While there is evidence that automated recognition techniques can match human taxa identification accuracy at greatly reduced costs, so far the development of automated identification techniques for aquatic organisms has been minimal. In this paper, we focus on advancing …