About the Dedekind psi function in Pauli graphs

We study the commutation structure within the Pauli groups built on all decompositions of a given Hilbert space dimension $q$, containing a square, into its factors. The simplest illustrative examples are the quartit ($q=4$) and two-qubit ($q=2^2$) systems. It is shown how the sum of divisor function $\sigma(q)$ and the Dedekind psi function $\psi(q)=q \prod_{p|q} (1+1/p)$ enter into the theory for counting the number of maximal commuting sets of the qudit system. In the case of a multiple qudit system (with $q=p^m$ and $p$ a prime), the arithmetical functions $\sigma(p^{2n-1})$ and $\psi(p^{2n-1})$ count the cardinality of the symplectic polar space $W_{2n-1}(p)$ that endows the commutation structure and its punctured counterpart, respectively. Symmetry properties of the Pauli graphs attached to these structures are investigated in detail and several illustrative examples are provided.Comment: Proceedings of Quantum Optics V, Cozumel to appear in Revista Mexicana de Fisic

Quantum States Arising from the Pauli Groups, Symmetries and Paradoxes

We investigate multiple qubit Pauli groups and the quantum states/rays arising from their maximal bases. Remarkably, the real rays are carried by a Barnes-Wall lattice $BW_n$ ($n=2^m$). We focus on the smallest subsets of rays allowing a state proof of the Bell-Kochen-Specker theorem (BKS). BKS theorem rules out realistic non-contextual theories by resorting to impossible assignments of rays among a selected set of maximal orthogonal bases. We investigate the geometrical structure of small BKS-proofs $v-l$ involving $v$ rays and $l$ $2n$-dimensional bases of $n$-qubits. Specifically, we look at the classes of parity proofs 18-9 with two qubits (A. Cabello, 1996), 36-11 with three qubits (M. Kernaghan & A. Peres, 1995) and related classes. One finds characteristic signatures of the distances among the bases, that carry various symmetries in their graphs.Comment: The XXIXth International Colloquium on Group-Theoretical Methods in Physics, China (2012

The Fast Multipole Method and Point Dipole Moment Polarizable Force Fields

We present an implementation of the fast multipole method for computing coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected $O(N)$ scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embedded in a coarse-grained solvent using a standard integrator and a multiple time step integrator. Our tests show the applicability of FMM combined with state-of-the-art chemical models in molecular dynamical systems.Comment: 11 pages, 8 figures, accepted by J. Chem. Phy

Spin and chiral stiffness of the XY spin glass in two dimensions

We analyze the zero-temperature behavior of the XY Edwards-Anderson spin glass model on a square lattice. A newly developed algorithm combining exact ground-state computations for Ising variables embedded into the planar spins with a specially tailored evolutionary method, resulting in the genetic embedded matching (GEM) approach, allows for the computation of numerically exact ground states for relatively large systems. This enables a thorough re-investigation of the long-standing questions of (i) extensive degeneracy of the ground state and (ii) a possible decoupling of spin and chiral degrees of freedom in such systems. The new algorithm together with appropriate choices for the considered sets of boundary conditions and finite-size scaling techniques allows for a consistent determination of the spin and chiral stiffness scaling exponents.Comment: 6 pages, 2 figures, proceedings of the HFM2006 conference, to appear in a special issue of J. Phys.: Condens. Matte