On the fractional integral of Weyl inL p

This work has been partially supported by D.G.C.Y.T., grant PS88-0115, Spain     

CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states

The acetone molecule is investigated in its ground state and valence ^1,3n-π*, ^1,3π-π*, and ^1,3σ-π* excited states and Rydberg ^1,3n-3s, ^1,3π-3?, ^1,3n-3p_y and ^1,3π-3p_y states using the CASSCF, CASPT2, and CCSD(T) methods. Equilibrium geometries of excited states are obtained and their changes with respect to the ground state are discussed. For most excited states the C_2v symmetry of the ground state is lowered to the C_s symmetry. A series of valence vertical and adiabatic excitation energies is presented along with excitation energies for Rydberg states. The main body of the paper contains Finite-Field Perturbation Theory (FFPT) calculations of electric properties of the vertically as well as geometry relaxed excited states. Dipole moments of valence excited states decrease significantly upon excitation, being about one half of the ground state dipole moment. Polarizabilities usually change upon excitation much less (increase by about 30%) but hyperpolarizabilities are enhanced up to one or two orders of magnitude. The orientation of the dipole moment is reversed in some vertically excited Rydberg states. Properties of the ground and excited states are discussed considering alterations of the electronic structure and shifts in the geometry.     

Bipartite entanglement induced by classically-constrained quantum dissipative dynamics

The properties of some complex many body systems can be modeled by introducing in the dissipative dynamics of each single component a set of kinetic constraints that depend on the state of the neighbor systems. Here, we characterize this kind of dynamics for two quantum systems whose independent dissipative evolutions are defined by a Lindblad equation. The constraints are introduced through a set of projectors that restrict the action of each single dissipative Lindblad channel to the state of the other system. Conditions that guarantee a classical interpretation of the kinetic constraints are found. The generation and evolution of entanglement is studied for two optical qubits systems. Classically constrained dissipation leads to a stationary state whose degree of entanglement depends on the initial state. Nevertheless, independently of the initial conditions, a maximal entangled state is generated when both systems are subjected to the action of local Hamiltonian fields that do not commutate with the constraints. The underlying physical mechanism is analyzed in detail.     

X‐ray absorption study of the local structure at the NiO/oxide interfaces

This work reports an X‐ray absorption near‐edge structure (XANES) spectroscopy study at the Ni K‐edge in the early stages of growth of NiO on non‐ordered SiO₂, Al₂O₃ and MgO thin films substrates. Two different coverages of NiO on the substrates have been studied. The analysis of the XANES region shows that for high coverages (80 Eq‐ML) the spectra are similar to that of bulk NiO, being identical for all substrates. In contrast, for low coverages (1 Eq‐ML) the spectra differ from that of large coverages indicating that the local order around Ni is limited to the first two coordination shells. In addition, the results also suggest the formation of cross‐linking bonds Ni—O—M (M = Si, Al, Mg) at the interface.     

A class of dimension-skipping graphs

Forn≧6 there exists a graphG with dimG=n, dimG*≧n+2, whereG* isG with a certain edge added.     

The Boltzmann equation from quantum field theory

We show from first principles the emergence of classical Boltzmann equations from relativistic nonequilibrium quantum field theory as described by the Kadanoff–Baym equations. Our method applies to a generic quantum field, coupled to a collection of background fields and sources, in a homogeneous and isotropic spacetime. The analysis is based on analytical solutions to the full Kadanoff–Baym equations, using the WKB approximation. This is in contrast to previous derivations of kinetic equations that rely on similar physical assumptions, but obtain approximate equations of motion from a gradient expansion in momentum space. We show that the system follows a generalized Boltzmann equation whenever the WKB approximation holds. The generalized Boltzmann equation, which includes off-shell transport, is valid far from equilibrium and in a time dependent background, such as the expanding universe.     

Noncommutative Jordan C*-algebras

We introduce noncommutative JB*-algebras which generalize both B*-algebras and JB*-algebras and set up the bases for a representation theory of noncommutative JB*-algebras. To this end we define noncommutative JB*-factors and study the factor representations of a noncommutative JB*-algebra. The particular case of alternative B*-factors is discussed in detail and a Gelfand-Naimark theorem for alternative B*-algebras is given.     

The Coloring Ideal and Coloring Complex of a Graph

Let G be a simple graph on d vertices. We define a monomial ideal K in the Stanley-Reisner ring A of the order complex of the Boolean algebra on d atoms. The monomials in K are in one-to-one correspondence with the proper colorings of G. In particular, the Hilbert polynomial of K equals the chromatic polynomial of G.The ideal K is generated by square-free monomials, so A/K is the Stanley-Reisner ring of a simplicial complex C. The h-vector of C is a certain transformation of the tail T(n) = n ^d – (n) of the chromatic polynomial of G. The combinatorial structure of the complex C is described explicitly and it is shown that the Euler characteristic of C equals the number of acyclic orientations of G.     

Positivity and Negativity of Solutions to a Schrödinger Equation in ℝ N

Weak L ² -solutions u of the Schrödinger equation, –u + q(x) u – u = f(x) in L ² , are represented by a Fourier series using spherical harmonics in order to prove the following strong maximum and anti-maximum principles in (N 2): Let ₁ denote the positive eigenfunction associated with the principal eigenvalue ₁ of the Schrödinger operator . Assume that the potential q(x) is radially symmetric and grows fast enough near infinity, and f is a `sufficiently smooth' perturbation of a radially symmetric function, f 0 and 0 f / C const a.e. in . Then u is ₁-positive for - < < ₁ (i.e., u c ₁ with c const > 0) and ₁-negative for ₁ < < ₁ + (i.e., u –c₁ with c const > 0), where > 0 is a number depending on f. The constant c > 0 depends on both and f.