NMR 1 J(HD) coupling in HD as a function of interatomic distance in the presence of an external magnetic field

A theoretical study has been made of the dependence of the ¹ J(HD) coupling in HD on the interatomic distance R in the presence of a static uniform magnetic field B ₀. The behaviour of all coupling terms arising from Ramsey's magnetic electron-nucleus interactions, Fermicontact (FC), spin-dipolar (SD) and paramagnetic (PSO) and diamagnetic (DSO) spin-orbital interactions is analysed qualitatively for large R. It is concluded that the PSO, DSO and SD terms become negligibly small as R increases. Detailed calculations were carried out for the FC term following two different approaches: detailed full CI calculations within a non-perturbative approach; and explicit diagonalization of the Hamiltonian operator restricted to the subspace spanned by the ¹Σ⁺;_g and the ³Σ⁺;_u states. Within the approximations considered, the FC term of ¹ J(HD) is found to be independent of B ₀ and to increase by several orders of magnitude, in agreement with previous results by Bacskay, G. B., 1995, Chem. Phys. Lett., 242, 507, until a critical distance R(B ₀) is reached, beyond which it almost vanishes. The quenching of the coupling at R(B ₀) is due to the splitting of the ³Σ⁺;_u state in the presence of the field B ₀. The stronger the field the shorter is R(B ₀).     

Discrete series of unitary irreducible representations of the Uq(u(3, 1)) and Uq(u(n, 1)) noncompact quantum algebras

The structure of all discrete series of unitary irreducible representations of the U _q (u(3, 1)) and U _q (u(n, 1)) noncompact quantum algebras are investigated with the aid of extremal projection operators and the q-analog of the Mickelsson-Zhelobenko algebra Z(g, g′) _q . The orthonormal basis constructed in the infinite-dimensional space of irreducible representations of the U _q (u(n, 1)) ⊇ U _q (u(n)) algebra is the q-analog of the Gelfand-Graev basis in the space of the corresponding irreducible representations of the u(n, 1) ⊇ u(n) classical algebra.     

Conservation of Energy,Entropy Identity,and Local Stability for the Spatially Homogeneous Boltzmann Equation

For nonsoft potential collision kernels with angular cutoff, we prove that under the initial condition f ₀(v)(1+|v|²+|logf ₀(v)|)L ¹(R ³), the classical formal entropy identity holds for all nonnegative solutions of the spatially homogeneous Boltzmann equation in the class L ([0, ); L ¹ ₂(R ³))C ¹([0, ); L ¹(R ³)) [where L ¹ _s (R ³)={ff(v)(1+|v|²) ^s/2L ¹(R ³)}], and in this class, the nonincrease of energy always implies the conservation of energy and therefore the solutions obtained all conserve energy. Moreover, for hard potentials and the hard-sphere model, a local stability result for conservative solutions (i.e., satisfying the conservation of mass, momentum, and energy) is obtained. As an application of the local stability, a sufficient and necessary condition on the initial data f ₀ such that the conservative solutions f belong to L ¹ _loc([0, ); L ¹ ₂₊ (R ³)) is also given.     

Realization ofU q (so(N)) within the differential algebra onR q N

We realize the Hopf algebraU _q–1 (so(N)) as an algebra of differential operators on the quantum Euclidean spaceR _q ^N . The generators are suitableq-deformed analogs of the angular momentum components on ordinaryR ^N . The algebra Fun(R _q ^N ) of functions onR _q ^N splits into a direct sum of irreducible vector representations ofU _q–1 (so(N)); the latter are explicitly constructed as highest weight representations.     

On Integration of the Nonlinear d’Alembert-Eikonal System and Conditional Symmetry of Nonlinear Wave Equations

Abstract

We study integrability of a system of nonlinear partial differential equations consisting of the nonlinear d’Alembert equation □u = F (u) and nonlinear eikonal equation u _xµ u _x µ = G(u) in the complex Minkowski space R(1, 3). A method suggested makes it possible to establish necessary and sufficient compatibility conditions and construct a general solution of the d’Alembert-eikonal system for all cases when it is compatible. The results obtained can be applied, in particular, to construct principally new (non-Lie, non-similarity) solutions of the non-linear d’Alembert, Dirac, and Yang-Mills equations. Solutions found in this way are shown to correspond to conditional symmetry of the equations enumerated above. Using the said approach, we study in detail conditional symmetry of the nonlinear wave equation □w = F ₀(w) in the four-dimensional Minkowski space. A number of new (non-Lie) reductions of the above equation are obtained giving rise to its new exact solutions which contain arbitrary functions.     

Implications of time-reversal symmetry for the band structure of single-wall carbon nanotubes

When electron states in carbon nanotubes are characterized by two-dimensional wave vectors with the components K ₁ and K ₂ along the nanotube circumference and cylindrical axis, respectively, then two such vectors symmetric about a M-point in the reciprocal space of graphene are shown to be related by the time-reversal operation. To each carbon nanotube there correspond five relevant M-points with the following coordinates: K ₁⁽¹⁾ = N/2R, K ₂⁽¹⁾= 0; K ₁⁽²⁾ = M/2R, K ₂⁽²⁾= −π/T; K ₁⁽³⁾= (2N −M)/2R, K ₂⁽³⁾= π/T; K ₁⁽⁴⁾= (M + N)/2R, K ₂⁽⁴⁾= -π/T, and K ₁⁽⁵⁾= (N − M)/2R, K ₂⁽⁵⁾= π/T, where M and N are the integers relating the chiral, C _h , symmetry, R, and translational, T, vectors of the nanotube by N R = C _h + M T, T = |T|, and R is the nanotube radius. The states at the edges of the one-dimensional Brillouin zone, which are symmetric about the M-points with K ₂ = ±π/T, are shown to be degenerate due to the time-reversal symmetry.     

Dynamical and symmetry groups of the SU(2) Kepler problem

It is well known that the MIC–Kepler problem, an extension of the three-dimensional Kepler problems, admits the same dynamical and symmetry groups as the Kepler problem. This paper aims to study dynamical and symmetry groups of the SU(2) Kepler problem, where the SU(2) Kepler problem is defined to be the dynamical system reduced from the eight-dimensional conformal Kepler problem through an SU(2) symmetry and turns out to be an extension of the five-dimensional Kepler problem. It is shown that the SU(2) Kepler problem admits a dynamical group SO^*(8) and that the phase space of the SU(2) Kepler problem is symplectomorphic with a co-adjoint orbit of SO^*(8), on which the Kirillov–Kostant–Souriau form is defined. It is further shown that the subgroups, SU(4), SU^*(4), and Sp(2)×_SR⁵, of SO^*(8) provide the symmetry groups, SU(4)/Z₂SO(6), SU^*(4)/Z₂SO₀(1,5), and (Sp(2)×_SR⁵)/Z₂SO(5)×_SR⁵, of the SU(2) Kepler problem with negative, positive, and zero energies, respectively, where ×_S denotes a semi-direct product. Furthermore, constants of motion for the SU(2) Kepler problem are found together with their Poisson brackets. The symmetry Lie algebra formed by constants of motion is shown to be isomorphic with so(6)su(4), so(1,5)su^*(4), or so(5)_SR⁵sp(2)_SR⁵, depending on whether the energy is negative, positive, or zero, where _S denotes a semi-direct sum. These Lie algebras are subalgebras of so^*(8)so(2,6).     

Diffusion and transport of a magnetic field in a turbulent medium with helicity

An analysis is made of the relation between accurate formulas for the coefficients of turbulent diffusion D _T and the alpha effect α _T for a magnetic field in the Lagrange and Euler representations. It is shown that the quadratic term with respect to α _T in the diffusion coefficient derived by Moffatt and Kraichnan is incorrect and should be dropped. First, a numerical solution of the nonlinear equation (DIA equation) for the Green function is presented, describing the transport of a magnetic field for the case of incompressible, uniform, isotropic, steady-state turbulence possessing helicity. These solutions are used to calculate the steady-state coefficients D _T and α _T for various values of the parameters ξ ₀=u ₀ σ ₀/R ₀, a=H ₀/u ₀ ² p ₀, σ ₀/σ ₁, and R ₀/R ₁, where u ₀, σ ₀, and R ₀ are the characteristic velocity, lifetime, and scale of the turbulent pulsations, and H ₀, σ ₁, and R ₁ are similar values describing the helicity of the medium h(1,2)=〈u(1)· (∇×u(2))〉, and the parameter α characterizes the degree of helicity. The DIA values of D _T and α _T and the self-consistent values of these quantities calculated using the Green tensor in the diffusion approximation are in qualitative agreement. It is shown that the coefficient of turbulent diffusion is always positive for all the types of turbulence studied. Nonsteady-state values of D _T(t) and α _T(t) calculated by a self-consistent method are given. Zh. éksp. Teor. Fiz. 112, 1312–1331 (October 1997)     

Experimental determination of the potential energy curves of the I(3/2u) and I(3/2g) states of Kr+ 2

The I(3/2u) and I(3/2g) states of Kr⁺ ₂ have been investigated by pulsed-field-ionization zero-kinetic-energy (PFI-ZEKE) photoelectron spectroscopy following (2 + 1′) resonance-enhanced multiphoton excitation via the 0⁺ _g Rydberg state located below the Kr?([4p]⁵5p[1/2]₀) + Kr(¹S₀) dissociation limit of Kr₂. From the positions of a large number of vibrational bands in the spectra of the ⁸⁴Kr₂ and ⁸⁴Kr-⁸⁶Kr isotopomers, the adiabatic ionization potentials (IP(I(3/2u)) = 112672.4 ± 0.8cm^?1, IP(I(3/2g)) = 111 395.0 ± 1.4cm^?1), the dissociation energies (D ⁺ ₀(I(3/2u)) = 368.8 ± 2.0cm^?1, D ⁺ ₀(I(3/2g)) = 1646.2 ± 2.3cm^?1) and vibrational constants for both ionic states have been determined. Potential energy curves have been extracted which perfectly reproduce all experimental observations and are accurate over a wide range of energies and internuclear distances. The equilibrium internuclear distances (R ⁺ _e(I(3/2u)) = 4.11 ± 0.04 Å, R ⁺ _e(I(3/2g)) = 3.35 ± 0.10 Å) have been derived by comparing the intensity distribution in the PFI-ZEKE photoelectron spectra to calculated Franck-Condon factors. The dissociation energy of the I(3/2g) state and the equilibrium internuclear distance of the I(3/2u) state differ markedly from previously reported values.     

A Construction of Blow up Solutions for Co-rotational Wave Maps

The existence of co-rotational finite time blow up solutions to the wave map problem from ${\mathbb{R}^{2+1} \to N}The existence of co-rotational finite time blow up solutions to the wave map problem from \mathbbR²⁺¹ ? N{\mathbb{R}^{2+1} \to N} , where N is a surface of revolution with metric d ρ ² + g(ρ)² dθ², g an entire function, is proven. These are of the form u(t,r)=Q(l(t)t)+R(t,r){u(t,r)=Q(\lambda(t)t)+\mathcal{R}(t,r)} , where Q is a time independent solution of the co-rotational wave map equation −u _tt  + u _rr  + r ⁻¹ u _r  = r ⁻² g(u)g′(u), λ(t) = t ^−1-ν, ν > 1/2 is arbitrary, and R{\mathcal{R}} is a term whose local energy goes to zero as t → 0.     

Logarithmic Intertwining Operators and Vertex Operators

This is the first in a series of papers where we study logarithmic intertwining operators for various vertex subalgebras of Heisenberg and lattice vertex algebras. In this paper we examine logarithmic intertwining operators associated with rank one Heisenberg vertex operator algebra M(1) _a , of central charge 1 − 12a ². We classify these operators in terms of depth and provide explicit constructions in all cases. Our intertwining operators resemble puncture operators appearing in quantum Liouville field theory. Furthermore, for a = 0 we focus on the vertex operator subalgebra L(1, 0) of M(1)₀ and obtain logarithmic intertwining operators among indecomposable Virasoro algebra modules. In particular, we construct explicitly a family of hidden logarithmic intertwining operators, i.e., those that operate among two ordinary and one genuine logarithmic L(1, 0)-module.     

The lie algebra of invariant group of the KdV,MKdV, or Burgers equation

Let (E): u _t=H(u) denote the KdV, MKdV or Burgers equation, and U(s)=(D^j _s)/u _j, where D=d/dx, u _i=Dⁱ _u, s=s(u, u ₁, ..., u _n) is a polynomial of u _i with constant coefficients, be the generator of invariant group of equation (E). We prove in this paper that all such generators form a commutative Lie algebra, from which it follows that for any symmetry s(u, ..., u _n) of (E), the evolution equation u _t=s(u, ..., u _n) possesses an infinite number of symmetries (or conservation laws in the case of KdV and MKdV equations).     

Existence of solitary waves in higher dimensions

The elliptic equation u=F(u) possesses non-trivial solutions inR ⁿ which are exponentially small at infinity, for a large class of functionsF. Each of them provides a solitary wave of the nonlinear Klein-Gordon equation.This work was supported in part by NSF Grant MCS 75-08827     

An invariant measure for the equationu tt −u xx +u 3=0

Numerical studies of the initial boundary-value problem of the semilinear wave equationu _tt –u _xx +u ³=0 subject to periodic boundary conditionsu(t, 0)=u(t, 2),u _t (t, 0)=u _t (t, 2) and initial conditionsu(0,x)=u ₀(x),u _t(0,x)=v ₀(x), whereu ₀(x) andv ₀(x) satisfy the same periodic conditions, suggest that solutions ultimately return to a neighborhood of the initial stateu ₀(x),v ₀(x) after undergoing a possibly chaotic evolution. In this paper an appropriate abstract space is considered. In this space a finite measure is constructed. This measure is invariant under the flow generated by the Hamiltonian system which corresponds to the original equation. This enables one to verify the above returning property.     

Analyticity of the scattering operator for the nonlinear Klein-Gordon equation with cubic nonlinearity

The wave and scattering operators for the equation $$\left( {\square + m^2 } \right)\varphi + \lambda \varphi ^2 = 0$$ withm>0 and λ>0 on four-dimensional Minkowski space are analytic on the space of finite-energy Cauchy data, i.e.L ₂ ¹ (R ³)⊕L ₂(R ³).     

Generalized Twisted Modules Associated to General Automorphisms of a Vertex Operator Algebra

We introduce a notion of a strongly ${\mathbb{C}^{\times}}We introduce a notion of a strongly \mathbbC^×{\mathbb{C}^{\times}}-graded, or equivalently, \mathbbC/\mathbbZ{\mathbb{C}/\mathbb{Z}}-graded generalized g-twisted V-module associated to an automorphism g, not necessarily of finite order, of a vertex operator algebra. We also introduce a notion of a strongly \mathbbC{\mathbb{C}}-graded generalized g-twisted V-module if V admits an additional \mathbbC{\mathbb{C}}-grading compatible with g. Let V=\coprod_{n ? \mathbbZ}V_(n){V=\coprod_{n\in \mathbb{Z}}V_{(n)}} be a vertex operator algebra such that V₍₀₎=\mathbbC1{V_{(0)}=\mathbb{C}\mathbf{1}} and V _(n) = 0 for n < 0 and let u be an element of V of weight 1 such that L(1)u = 0. Then the exponential of 2p?{-1}  Res_x Y(u, x){2\pi \sqrt{-1}\; {\rm Res}_{x} Y(u, x)} is an automorphism g _u of V. In this case, a strongly \mathbbC{\mathbb{C}}-graded generalized g _u -twisted V-module is constructed from a strongly \mathbbC{\mathbb{C}}-graded generalized V-module with a compatible action of g _u by modifying the vertex operator map for the generalized V-module using the exponential of the negative-power part of the vertex operator Y(u, x). In particular, we give examples of such generalized twisted modules associated to the exponentials of some screening operators on certain vertex operator algebras related to the triplet W-algebras. An important feature is that we have to work with generalized (twisted) V-modules which are doubly graded by the group \mathbbC/\mathbbZ{\mathbb{C}/\mathbb{Z}} or \mathbbC{\mathbb{C}} and by generalized eigenspaces (not just eigenspaces) for L(0), and the twisted vertex operators in general involve the logarithm of the formal variable.     

E.S.R. evidence for the planarity of the t-butyl radical

Monte Carlo calculations are reported for the radial distribution function g ₂(r; λ) of a fluid in which the intermolecular pair potential is [u ^ref(r) + λu ^p(r)], u ^ref(r) being the Weeks-Chandler-Andersen (WCA) reference fluid, and [u ^ref(r) + u ^p(r)] being the Lennard-Jones (6, 12) fluid. The calculations are performed for λ values in the range 0 to 1, at the state condition ρσ³ = 0·80, kT/ε = 0·719. It is shown that at high densities the perturbation expansion of g ₂(r; λ = 1) about g ₂(r; λ = 0) is rapidly convergent, but that the corresponding expansion for y ₂(r; λ) = exp [βu(r; λ)] × g ₂(r; λ) is not. In addition Monte Carlo estimates of the individual terms that contribute to the first-order perturbation term, (?g ₂/?λ)_λ=0, are presented. It is shown that these terms are individually large, but that (?g ₂/?λ)_λ=0 is small because there is strong cancellation between the various terms. Consequently, the calculation of (?g ₂/?λ)_λ=0 is highly sensitive to the approximation used to evaluate the individual terms.     

Vibrational Population of Hydrogen Molecules Excited by an RF Discharge in an Expanding Thermal Arc Plasma as Determined by Emission Spectroscopy

This work is devoted to the determination of the vibrational population of hydrogen molecules in the ground and excited electronic states from the analysis of visible spectra of the H₂ molecules excited by an RF discharge in an expanding thermal arc plasma. Comparison of the experimental results on relative electron-impact excitation cross sections for the transition H₂(X¹Σ, υ⁰ = 0)→ H₂(d³II_u, υ′) with other experiments, and with calculations based on the Franck-Condon principle, shows good agreement. This means, that for plasma under investigation: 1) in the ground electronic state H₂(d³II_u,υ′), only the lowest vibrational level with υ⁰ = 0 is significantly populated, and 2) direct electron exictation of H₂(d³II_u, υ′, υ′) state from the ground state H₂(X¹Σ, υ⁰ = 0) dominates.     

Algebraic Quantum Field Theory, Perturbation Theory, and the Loop Expansion

The perturbative treatment of quantum field theory is formulated within the framework of algebraic quantum field theory. We show that the algebra of interacting fields is additive, i.e. fully determined by its subalgebras associated to arbitrary small subregions of Minkowski space. We also give an algebraic formulation of the loop expansion by introducing a projective system ?^{( n )} of observables “up to n loops”, where ?⁽⁰⁾ is the Poisson algebra of the classical field theory. Finally we give a local algebraic formulation for two cases of the quantum action principle and compare it with the usual formulation in terms of Green's functions. Received: 9 February 2000 / Accepted: 21 March 2000