Search results for "singular"
showing 10 items of 589 documents
Singularities in L^p-quasidisks
2021
We study planar domains with exemplary boundary singularities of the form of cusps. A natural question is how much elastic energy is needed to flatten these cusps; that is, to remove singularities. We give, in a connection of quasidisks, a sharp integrability condition for the distortion function to answer this question. peerReviewed
Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12)
2010
Geminal functions based on Slater-type correlation factors and fixed expansion coefficients, determined by cusp conditions, have in recent years been forwarded as an efficient and numerically stable method for introducing explicit electron correlation into coupled-cluster theory. In this work, we analyze the equations of explicitly correlated coupled-cluster singles and doubles (CCSD-F12) theory and introduce an ordering scheme based on perturbation theory which can be used to characterize and understand the various approximations found in the literature. Numerical results for a test set of 29 molecules support our analysis and give additional insight. In particular, our results help ration…
Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations.
2010
The coupled-cluster singles and doubles method augmented with single Slater-type correlation factors (CCSD-F12) determined by the cusp conditions (also denoted as SP ansatz) yields results close to the basis set limit with only small overhead compared to conventional CCSD. Quantitative calculations on many-electron systems, however, require to include the effect of connected triple excitations at least. In this contribution, the recently proposed [A. Köhn, J. Chem. Phys. 130, 131101 (2009)] extended SP ansatz and its application to the noniterative triples correction CCSD(T) is reviewed. The approach allows to include explicit correlation into connected triple excitations without introducin…
Tetra and pentaquarks from the molecular perspective
2019
We present results for the analysis of the B+ → J/ψϕK+ which shows the contribution of two resonances, the X(4140) and X(4160) and a cusp at the $D_s^*\bar D_s^*$ threshold tied to the molecular character of the X(4160) resonance. In the second part we present the results for the theoretical approach to the new Ωcstates from the molecular perspective. In both cases we compare with results of the LHCb collaboration.
Analysis of the "Unusual" Vibrational Components of Triply Degenerate Vibrational Mode nu(6) of Mo(CO)(6) Based on the Classical Interpretation of th…
2001
Rotational structure of the triply degenerate vibrational state nu(6)(F(1u)) of the octahedral molecule Mo(CO)(6) is analyzed qualitatively on the basis of classical mechanics. We show that the energy level redistribution between the vibrational components of nu(6)(F(1u)) occurs due to rotational excitation and is related to the formation of singular points of classical rotational energy surfaces. The singularity is stable under small variations of parameters of the effective rovibrational Hamiltonian. Parameters responsible for the persistence of this phenomenon are specified. Comparison with quantum calculations demonstrates the high qualitative and quantitative accuracy of our classical …
Natural occupation numbers: When do they vanish?
2013
The non-vanishing of the natural orbital occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix-potential mapping for nonlocal potentials in reduced density matrix functional theory and for the validity of the extended Koopmans' Theorem. On the basis of Weyl's theorem we give a connection between the differentiability properties of the ground state wave function and the rate at which the natural occupations approach zero when ordered as a descending series. We show, in particular, that the presence of a Coulomb cusp in the wave function leads, in general, to a power law decay of the natural occupations, whe…
On numerical relativistic hydrodynamics and barotropic equations of state
2012
The characteristic formulation of the relativistic hydrodynamic equations (Donat et al 1998 J. Comput. Phys. 146 58), which has been implemented in many relativistic hydro-codes that make use of Godunov-type methods, has to be slightly modified in the case of evolving barotropic flows. For a barotropic equation of state, a removable singularity appears in one of the eigenvectors. The singularity can be avoided by means of a simple renormalization which makes the system of eigenvectors well defined and complete. An alternative strategy for the particular case of barotropic flows is discussed.
Feynman graph polynomials
2010
The integrand of any multi-loop integral is characterised after Feynman parametrisation by two polynomials. In this review we summarise the properties of these polynomials. Topics covered in this article include among others: Spanning trees and spanning forests, the all-minors matrix-tree theorem, recursion relations due to contraction and deletion of edges, Dodgson's identity and matroids.
Relating the finite-volume spectrum and the two-and-three-particle S matrix for relativistic systems of identical scalar particles
2017
Working in relativistic quantum field theory, we derive the quantization condition satisfied by coupled two- and three-particle systems of identical scalar particles confined to a cubic spatial volume with periodicity $L$. This gives the relation between the finite-volume spectrum and the infinite-volume $\textbf 2 \to \textbf 2$, $\textbf 2 \to \textbf 3$ and $\textbf 3 \to \textbf 3$ scattering amplitudes for such theories. The result holds for relativistic systems composed of scalar particles with nonzero mass $m$, whose center of mass energy lies below the four-particle threshold, and for which the two-particle $K$ matrix has no singularities below the three-particle threshold. The quan…
Analysis of high-harmonic generation in terms of complex Floquet spectral analysis
2017
Recent developments on intense laser sources is opening a new field of optical sciences. An intense coherent light beam strongly interacting with the matter causes a coherent motion of a particle, forming a strongly dressed excited particle. A photon emission from this dressed excited particle is a strong nonlinear process causing high-harmonic generation (HHG), where the perturbation analysis is broken down. In this work, we study a coherent photon emission from a strongly dressed excited atom in terms of complex spectral analysis in the extended Floquet-Hilbert-space. We have obtained the eigenstates of the total Hamiltonian with use of Feshbach-Brilloiun-Wigner projection method. In this…