CLASSIFICATION OF SUBALGEBRAS OF THE CAYLEY ALGEBRA OVER A FINITE FIELD

We classify all unital subalgebras of the Cayley algebra O(q) over the finite field F(q), q = p(n). We obtain the number of subalgebras of each type and prove that all isomorphic subalgebras are conjugate with respect to the automorphism group of O(q). We also determine the structure of the Moufang loops associated with each subalgebra of O(q).

Coincidence Wecken homotopies versus Wecken homotopies relative to a fixed homotopy in one of the maps

We study the 1-parameter Wecken problem versus the restricted Wecken problem, for coincidence free pairs of maps between surfaces. For this we use properties of the function space between two surfaces and of the pure braid group on two strings of a surface. When the target surface is either the 2-sphere or the torus it is known that the two problems are the same. We classify most pairs of homotopy classes of maps according to the answer of the two problems are either the same or different when the target is either projective space or the Klein bottle. Some partial results are given for surfaces of negative Euler characteristic. (C) 2010 Elsevier B.V. All rights reserved.

Classification of the virtually cyclic subgroups of the pure braid groups of the projective plane

We classify the ( finite and infinite) virtually cyclic subgroups of the pure braid groups P(n)(RP(2)) of the projective plane. The maximal finite subgroups of P(n)(RP(2)) are isomorphic to the quaternion group of order 8 if n = 3, and to Z(4) if n >= 4. Further, for all n >= 3, the following groups are, up to isomorphism, the infinite virtually cyclic subgroups of P(n)(RP(2)): Z, Z(2) x Z and the amalgamated product Z(4)*(Z2)Z(4).

Spherical space forms - Homotopy self-equivalences and homotopy types, the case of the groups Z/a x (Z/b x TL(2)(F(p)))

Let G = Z/a x(mu) (Z/b x TL(2)(F(p))) and X(n) be an n-dimensional CW-complex with the homotopy type of the n-sphere. We determine the automorphism group Aut(G) and then compute the number of distinct homotopy types of spherical space forms with respect to free and cellular G-actions on all CW-complexes X(2dn - 1), where 2d is a period of G. Next, the group E(X(2dn - 1)/alpha) of homotopy self-equivalences of spherical space forms X(2dn - 1)/alpha, associated with such G-actions alpha on X(2dn - 1) are studied. Similar results for the rest of finite periodic groups have been obtained recently and they are described in the introduction. (C) 2009 Elsevier B.V. All rights reserved.

A characterisation of the Hoffman-Wohlgemuth surfaces in terms of their symmetries

For an embedded singly periodic minimal surface (M) over tilde with genus rho >= 4 and annular ends, some weak symmetry hypotheses imply its congruence with one of the Hoffman-Wohlgemuth examples. We give a very geometrical proof of this fact, along which they come out many valuable clues for the understanding of these surfaces.

Free field realizations of the elliptic affine Lie algebra sl(2, R) circle plus (Omega(R)/dR)

In this paper we construct two free field realizations of the elliptic affine Lie algebra sl(2, R) circle plus Omega(R)/dR where R = C[t. t(-1), u vertical bar u(2) = t(3) - 2bt(2) + t]. The first realization provides an analogue of Wakimoto`s construction for Affine Kac-Moody algebras, but in the setting of the elliptic affine Lie algebra. The second realization gives new types of representations analogous to Imaginary Verma modules in the Affine setting. (c) 2009 Elsevier B.V. All rights reserved.

Electronic Structure of the Ground and Low-Lying Electronic States of MoB and MoB(+)

Multiconfigurational second-order perturbation theory (CASSCF//CASPT2) and quadruple-zeta ANO-RCC basis sets were employed to investigate the ground and low-lying electronic states of MoB and MoB(+). Spectroscopic constants, potential energy curves, wavefunctions, Mulliken population analyses, and ionization energies are given. The ground state of MoB is of X(6)Pi symmetry (R(e) = 1.968 angstrom, omega(e) = 664 cm(-1), and mu = 2.7 D), giving rise to a Omega = 7/2 ground state after including spin-orbit coupling. For MoB(+), the ground state is computed to be of X(7)Sigma(+) symmetry (R(e) = 2.224 angstrom, omega(e) = 141 cm(-1), and mu = 1.2 D), with an adiabatic ionization energy of 7.19 eV and a vertical one of 7.53 eV. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem 111: 3362-3370, 2011

Solvatochromic Shift of the pi -> pi* Transition in All-Trans, Cis-13, Cis-11, Cis-9, and Cis-7 Retinal Isomers Induced by Water and Methanol

The solvatochromic shift of the lowest singlet it pi -> pi* electronic transition in the all-trans, cis-13, cis-11, cis-9, and cis-7 retinal isomers were computed under the influence of water, methanol, and benzene solvents. Excitation energies were calculated in gas phase and in solution. The calculations in solution were performed considering the sequential Monte Carlo (MC) /Quantum Mechanical approach. The MC simulations were performed considering the full retinal isomer molecules and 900 water molecules, 900 methanol, or 400 benzene ones. The OPLS/AA parametrization was chosen for retinal, methanol, and benzene molecules and the SPC model was used for water one. From the MC calculations 100 independent configurations were selected, with 100 solvent molecules in thermodynamical equilibrium at T = 298.15 K. Average point-charges were obtained from those independent configurations for water, methanol, and benzene solvent. TDDFT and CASSCF//CASPT2 methodologies were used to compute the vertical excitation energy of the retinal isomers in different environment. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110: 2076-2087, 2010

A CASSCF/MRCI Study of the Low-Lying Electronic States of the BeS Molecule

Accurate potential energy curves, dipole moment functions, dissociation energies, and molecular constants for several low-lying singlet and triplet electronic states of BeS were investigated using the CASSCF/MRCI methodology, and the cc-pV5Z basis set for beryllium, and the aug-cc-pV(5+d) Z set for sulfur. Besides presenting improved results for the three lowest lying states, this study presents the first theoretical characterization of another set of nine excited states so far unknown experimentally. Our results are sufficiently accurate to reliably guide the experimental search and characterization of these states, and also to confirm the experimental assignment of the B(1)Sigma(+) excited state. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 1694-1700, 2011