Search results for "Eigenvalue"
showing 10 items of 344 documents
The discretized harmonic oscillator: Mathieu functions and a new class of generalized Hermite polynomials
2003
We present a general, asymptotical solution for the discretised harmonic oscillator. The corresponding Schr\"odinger equation is canonically conjugate to the Mathieu differential equation, the Schr\"odinger equation of the quantum pendulum. Thus, in addition to giving an explicit solution for the Hamiltonian of an isolated Josephon junction or a superconducting single-electron transistor (SSET), we obtain an asymptotical representation of Mathieu functions. We solve the discretised harmonic oscillator by transforming the infinite-dimensional matrix-eigenvalue problem into an infinite set of algebraic equations which are later shown to be satisfied by the obtained solution. The proposed ansa…
Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene-benzene
1993
The importance of characterizing the stationary points of the intermolecular potential by means of Hessian eigenvalues is illustrated for the calculation of the benzene–benzene interaction using an atom-to-atom pair potential proposed by Fraga (FAAP). Two models, the standard one-center-per atom and another using three-centers-per atom due to Hunter and Sanders, are used to evaluate the electrostatic contributions and the results are compared. It is found in both cases that although using low-gradient thresholds allows optimization procedures to avoid many stationary points that are not true minima computing time considerations makes the usual procedure of using high-gradient thresholds [sa…
AMYR 2: A new version of a computer program for pair potential calculation of molecular associations
1998
AMYR is a computer program for the calculation of molecular associations using Fraga's pairwise atom-atom potential. The interaction energy is evaluated through a 1R expansion. The electrostatic energy is calculated through either the one-centre-per atom or the three-centres-per atom model by Hunter and Sanders. A pairwise dispersion energy term is included in the potential and corrected by a damping function. The program carries out energy minimizations through variable metric methods. The new version allows for the stationary point analysis of the intermolecular potential by means of the Hessian eigenvalues. Although using low-gradient thresholds optimization procedures to avoid many stat…
Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids
2018
The critical points analysis of electron density,i.e. ρ(x), fromab initiocalculations is used in combination with the catastrophe theory to show a correlation between ρ(x) topology and the appearance of instability that may lead to transformations of crystal structures, as a function of pressure/temperature. In particular, this study focuses on the evolution of coalescing non-degenerate critical points,i.e. such that ∇ρ(xc) = 0 and λ1, λ2, λ3≠ 0 [λ being the eigenvalues of the Hessian of ρ(x) atxc], towards degenerate critical points,i.e. ∇ρ(xc) = 0 and at least one λ equal to zero. The catastrophe theory formalism provides a mathematical tool to model ρ(x) in the neighbourhood ofxcand allo…
Comparison results for Hessian equations via symmetrization
2007
where the λ’s are the eigenvalues of the Hessian matrix D2u of u and Sk is the kth elementary symmetric function. For example, for k = 1, S1(Du) = 1u, while, for k = n, Sn(D 2u) = detD2u. Equations involving these operators, and some more general equations of the form F(λ1, . . . , λn) = f in , (1.2) have been widely studied by many authors, who restrict their considerations to convenient cones of solutions with respect to which the operator in (1.2) is elliptic. Following [25] we define the cone 0k of ellipticity for (1.1) to be the connected component containing the positive cone 0 = {λ ∈ R : λi > 0 ∀i = 1, . . . , n} of the set where Sk is positive. Thus 0k is an open, convex, symmetric…
The damped harmonic oscillator in deformation quantization
2005
We propose a new approach to the quantization of the damped harmonic oscillator in the framework of deformation quantization. The quantization is performed in the Schr\"{o}dinger picture by a star-product induced by a modified "Poisson bracket". We determine the eigenstates in the damped regime and compute the transition probability between states of the undamped harmonic oscillator after the system was submitted to dissipation.
Modular invariant dynamics and fermion mass hierarchies around τ = i
2021
We discuss fermion mass hierarchies within modular invariant flavour models. We analyse the neighbourhood of the self-dual point $\tau=i$, where modular invariant theories possess a residual $Z_4$ invariance. In this region the breaking of $Z_4$ can be fully described by the spurion $\epsilon \approx \tau - i$, that flips its sign under $Z_4$. Degeneracies or vanishing eigenvalues of fermion mass matrices, forced by the $Z_4$ symmetry at $\tau=i$, are removed by slightly deviating from the self-dual point. Relevant mass ratios are controlled by powers of $|\epsilon|$. We present examples where this mechanism is a key ingredient to successfully implement an hierarchical spectrum in the lepto…
Continuum Goldstone spectrum of two-color QCD at finite density with staggered quarks
2019
We carry out lattice simulations of two-color QCD and spectroscopy at finite density with two flavors of rooted-staggered quarks and a diquark source term. As in a previous four-flavor study, for small values of the inverse gauge coupling we observe a Goldstone spectrum which reflects the symmetry-breaking pattern of a Gaussian symplectic chiral random-matrix ensemble (GSE) with Dyson index $\beta_D=4$, which corresponds to any-color QCD with adjoint quarks in the continuum instead of QC$_2$D wih fundamental quarks. We show that this unphysical behavior occurs only inside of the bulk phase of $SU(2)$ gauge theory, where the density of $Z_2$ monopoles is high. Using an improved gauge action …
Spin Chains with Non-Diagonal Boundaries and Trigonometric SOS Model with Reflecting End
2011
In this paper we consider two a priori very different problems: construction of the eigenstates of the spin chains with non parallel boundary magnetic fields and computation of the partition function for the trigonometric solid-on-solid (SOS) model with one reflecting end and domain wall boundary conditions. We show that these two problems are related through a gauge transformation (so-called vertex-face transformation) and can be solved using the same dynamical reflection algebras.
SOV approach for integrable quantum models associated to general representations on spin-1/2 chains of the 8-vertex reflection algebra
2013
The analysis of the transfer matrices associated to the most general representations of the 8-vertex reflection algebra on spin-1/2 chains is here implemented by introducing a quantum separation of variables (SOV) method which generalizes to these integrable quantum models the method first introduced by Sklyanin. More in detail, for the representations reproducing in their homogeneous limits the open XYZ spin-1/2 quantum chains with the most general integrable boundary conditions, we explicitly construct representations of the 8-vertex reflection algebras for which the transfer matrix spectral problem is separated. Then, in these SOV representations we get the complete characterization of t…