Theoretical Investigations of the Spin Hamiltonian Parameters for the Mononuclear Square Pyramidal [CuO<Subscript>5</Subscript>] Groups in Two Paddle Wheel Copper Complexes

The spin Hamiltonian parameters (SHPs) (g factors and hyperfine structure constants) for the mononuclear square pyramidal [CuO₅] groups in two paddle wheel copper complexes {Cu₂(μ₂–O₂CCH₃)₄}(OCNH₂CH₃) and \({}_{\infty }^{3} [{\text{Cu}}_{ 2}^{\text{I}} {\text{Cu}}_{ 2}^{\text{II}} ( {\text{H}}_{ 2} {\text{O)}}_{ 2} {\text{L}}_{ 2} {\text{Cl}}_{ 2} ]\) are theoretically investigated from the perturbation calculations of these parameters for a rhombically elongated octahedral 3d ⁹ group. The slightly larger anisotropy Δg (≈ g _// ? g_⊥) of complex 1 than complex 2 is attributed to the slightly bigger deviations of the polar angles related to the ideal value 90° and relative differences between the axial and basal Cu–O distances in the former. The axiality of the EPR signals for both systems can be illustrated as the fact that the perpendicular anisotropic contributions to X and Y components of the SHPs arising from the four basal ligands with slightly distinct bond lengths and bond angles may roughly cancel one another. The signs of hyperfine structure constants are also theoretically determined for both complexes.     

Symmetries of the pseudo-diffusion equation and related topics

We show in details how to determine and identify the algebra g = {A_i} of the infinitesimal symmetry operators of the following pseudo-diffusion equation (PSDE) LQ ≡ \(\left[ {\frac{\partial }{{\partial t}} - \frac{1}{4}\left( {\frac{{{\partial ^2}}}{{\partial {x^2}}} - \frac{1}{{{t^2}}}\frac{{{\partial ^2}}}{{\partial {p^2}}}} \right)} \right]\) Q(x, p, t) = 0. This equation describes the behavior of the Q functions in the (x, p) phase space as a function of a squeeze parameter y, where t = e ^2y. We illustrate how G _i(λ) ≡ exp[λA _i] can be used to obtain interesting solutions. We show that one of the symmetry generators, A ₄, acts in the (x, p) plane like the Lorentz boost in (x, t) plane. We construct the Anti-de-Sitter algebra so(3, 2) from quadratic products of 4 of the A _i, which makes it the invariance algebra of the PSDE. We also discuss the unusual contraction of so(3, 1) to so(1, 1)? h². We show that the spherical Bessel functions I ₀(z) and K ₀(z) yield solutions of the PSDE, where z is scaling and “twist” invariant.     

The convergence behaviour of expansions in the classical collision theory

In the classical collision theory the scattering angle? depends on the impact parameterb and on the kinetic energyE _r of the relative motion. This angle?(b, E _r ) is expanded for two limiting cases: 1. Expansion in powers of the potentialV(r)/E _r (momentum approximation). 2. Expansion in powers of the impact parameterb (central collision approximation). The radius of convergence of the series depends onb andE _r . It will be given for the following potentialsV(r):

$$A\left( {\frac{a}{r}} \right)^\mu ;Ae^{ - \frac{r}{a}} ;A\frac{a}{r}e^{ - \frac{r}{a}} ;A\left( {\frac{a}{r}} \right)^2 e^{ - \left( {\frac{r}{a}} \right)^2 } .$$     

Electronic structure and optical properties of prominent phases of $$\hbox {TiO}_{2}$$: First-principles study

We present the properties of the C-parameter as an event-shape variable. We calculate the coupling constants in the perturbative and also in the non-perturbative parts of the QCD theory, using the dispersive as well as the shape function models. By fitting the corresponding theoretical predictions to our data, we find \(\alpha _{\mathrm {s}} (M_{Z^{0}})\) = 0.117 ± 0.014 and α ₀(μ _I ) = 0.491 ± 0.043 for dispersive model and \(\alpha _{\mathrm {s}} (M_{Z^{0}})\) = 0.124 ± 0.015 and λ ₁ = 1.234 ± 0.052 for the shape function model. Our results are consistent with the world average value of \(\alpha _{\mathrm {s}} (M_{Z^{0}})\) = 0.118 ± 0.002. All these features are explained in the main text.     

Stability analysis and quasinormal modes of Reissner–Nordstrøm space-time via Lyapunov exponent

We explicitly derive the proper-time (τ) principal Lyapunov exponent (λ_p) and coordinate-time (t) principal Lyapunov exponent (λ_c) for Reissner–Nordstrøm (RN) black hole (BH). We also compute their ratio. For RN space-time, it is shown that the ratio is \(({\lambda _{p}}/{\lambda _{c}})={r_{0}}/{\sqrt {{r_{0}^{2}}-3Mr_{0}+2Q^{2}}}\) for time-like circular geodesics and for Schwarzschild BH, it is \(({\lambda _{p}}/{\lambda _{c}})={\sqrt {r_{0}}}/{\sqrt {r_{0}-3M}}\). We further show that their ratio λ_p/λ_c may vary from orbit to orbit. For instance, for Schwarzschild BH at the innermost stable circular orbit (ISCO), the ratio is \(({\lambda _{p}}/{\lambda _{c}})|_{r_{\text {ISCO}}=6M}=\sqrt {2}\) and at marginally bound circular orbit (MBCO) the ratio is calculated to be \(({\lambda _{p}}/{\lambda _{c}})|_{r_{\mathrm {m}\mathrm {b}}=4M}=2\). Similarly, for extremal RN BH, the ratio at ISCO is \(({\lambda _{p}}/{\lambda _{c}})|_{r_{\text {ISCO}}=4M}={2\sqrt {2}}/{\sqrt {3}}\). We also further analyse the geodesic stability via this exponent. By evaluating the Lyapunov exponent, it is shown that in the eikonal limit, the real and imaginary parts of the quasinormal modes of RN BH is given by the frequency and instability time-scale of the unstable null circular geodesics.     

A Heisenberg Double Addition to the Logarithmic Kazhdan–Lusztig Duality

For a Hopf algebra B, we endow the Heisenberg double \({\mathcal{H}(B^*)}\) with the structure of a module algebra over the Drinfeld double \({\mathcal{D}(B)}\). Based on this property, we propose that \({\mathcal{H}(B^*)}\) is to be the counterpart of the algebra of fields on the quantum-group side of the Kazhdan–Lusztig duality between logarithmic conformal field theories and quantum groups. As an example, we work out the case where B is the Taft Hopf algebra related to the \({\overline{\mathcal{U}}_{\mathfrak{q}} s\ell(2)}\) quantum group that is Kazhdan–Lusztig-dual to (p,1) logarithmic conformal models. The corresponding pair \({(\mathcal{D}(B),\mathcal{H}(B^*))}\) is “truncated” to \({(\overline{\mathcal{U}}_{\mathfrak{q}} s\ell2,\overline{\mathcal{H}}_{\mathfrak{q}} s\ell(2))}\), where \({\overline{\mathcal{H}}_{\mathfrak{q}} s\ell(2)}\) is a \({\overline{\mathcal{U}}_{\mathfrak{q}} s\ell(2)}\) module algebra that turns out to have the form \({\overline{\mathcal{H}}_{\mathfrak{q}} s\ell(2)=\mathbb{C}_{\mathfrak{q}}[z,\partial]\otimes\mathbb{C}[\lambda]/(\lambda^{2p}-1)}\), where \({\mathbb{C}_{\mathfrak{q}}[z,\partial]}\) is the \({\overline{\mathcal{U}}_{\mathfrak{q}} s\ell(2)}\)-module algebra with the relations z ^p  = 0, ? ^p  = 0, and \({\partial z = \mathfrak{q}-\mathfrak{q}^{-1} + \mathfrak{q}^{-2} z\partial}\).     

Method of uniform effective field in structure-dynamic approach of nanoionics

In the structure-dynamic approach of nanoionics, the method of a uniform effective field \( {F}_{\mathrm{eff}}^{j,k} \) of a crystallographic planeX ^j has been substantiated for solid electrolyte nanostructures. The \( {F}_{\mathrm{eff}}^{j,k} \)is defined as an approximation of a non-uniform field \( {F}_{\mathrm{dis}}^j \)of X ^j with a discrete- random distribution of excess point charges. The parameters of \( {F}_{\mathrm{eff}}^{j,k} \)are calculated by correction of the uniform Gauss field \( {F}_{\mathrm{G}}^j \) of X ^j . The change in an average frequency of ionic jumps X ^k ?→?X ^k?+?1 between adjacent planes of nanostructure is determined by the sum of field additives to the barrier heights η _k , _k?+?1, and for \( {F}_{\mathrm{G}}^j \) and \( {F}_{\mathrm{dis}}^j \), these sums are the same decimal order of magnitude. For nanostructures with length ~4 nm, the application of \( {F}_{\mathrm{G}}^j \) (as \( {F}_{\mathrm{eff}}^{j,k} \)) gives the accuracy ~20 % in calculations of ion transport characteristics. The computer explorations of the “universal” dynamic response (Reσ ^??∝?ω ⁿ ) show an approximately the same power n < ≈1 for\( {F}_{\mathrm{G}}^j \) and \( {F}_{\mathrm{eff}}^{j,k} \).     

Messung des gR-Faktors des 2+-Rotationsniveaus von Dy160 nach der Spinrotationsmethode und Bestimmung der Multipolmischungen mehrerer γ-Übergänge im Zerfall des Tb160

A differential measurement of the spin rotation of Dy¹⁶⁰ in the 2+ rotational state was performed by using liquid sources of TbCl₃ solved in 3M HCl and applying an external magnetic field of 33 500 Gauss. No change of the Larmor precession frequency could be detected within the first 10·10^?9 s. It is concluded that the ground state of the electronic shell of Dy⁺⁺⁺ is reached in 6·10^?10 s after theβ-decay of Tb¹⁶⁰. The valueg _R=+0.364±0.011 was derived using 〈r^?3〉_eff=8.92 a. u. for the 4f-shell of Dy⁺⁺⁺. A comparison with the result ofCohen who studied the Mössbauer-effect in Fe₂Dy shows that the value of 〈r^?3〉_eff must be 10% larger in this compound. A measurement of the effective magnetic field at the position of the nucleus in a source of terbium metal was performed for different temperatures. It revealed a temperature dependence which is very similar to the paramagnetic susceptibility χ(T). We observed a strong attenuation ofγ γ-angular correlations in the 2+ rotational state. For liquid sources of TbCl₃ solved in 3M HCl the following attenuation parameters were measured:

$$\begin{gathered} \lambda _2 = (0.122 \pm 0.013) \cdot 10^9 {\text{s}}^{ - {\text{1}}} , \hfill \\ \lambda _4 = (0.235 \pm 0.024) \cdot 10^9 {\text{s}}^{ - {\text{1}}} . \hfill \\ \end{gathered}$$     

Asymptotic Behavior of the Selberg Zeta Functions for Degenerating Families of Hyperbolic Manifolds

Let {M _k } be a degenerating sequence of finite volume, hyperbolic manifolds of dimension d, with d = 2 or d = 3, with finite volume limit M _∞. Let \({Z_{M_{k}} (s)}\) be the associated sequence of Selberg zeta functions, and let \({{\mathcal{Z}}_{k} (s)}\) be the product of local factors in the Euler product expansion of \({Z_{M_{k}} (s)}\) corresponding to the pinching geodesics on M _k . The main result in this article is to prove that \({Z_{M_{k}} (s)/{\mathcal{Z}}_{k} (s)}\) converges to \({Z_{M_{\infty}} (s)}\) for all \({s \in \mathbf{C}}\)with Re(s) > (d ? 1)/2. The significant feature of our analysis is that the convergence of \({Z_{M_{k}} (s)/{\mathcal{Z}}_{k} (s)}\) to \({Z_{M_{\infty}} (s)}\) is obtained up to the critical line, including the right half of the critical strip, a region where the Euler product definition of the Selberg zeta function does not converge. In the case d = 2, our result reproves by different means the main theorem in Schulze (J Funct Anal 236:120–160, 2006).     

Vibrational analysis of the (B 2 П→X 2 П) system of NS

A few red degraded bands attributable to NS have been reported earlier byFowler andBarker, Dressler andBarrow et al, and they occur in the same region (2300 to 2700 Å) as the bands of the known systems (C ² ∑ ⁺?X ² П) and (A ² Δ?X ² П). Measurements made on the heads of some of these weak bands ledBarrow et al. to believe that these bands may form a system analogous to theβ-system of NO and be due to a² П-² П transition. The spectrum of NS has now been studied in a little more detail by means of an uncondensed discharge through dry nitrogen and sulphur vapour in the presence of argon and thirty three bands belonging to this system have been recorded in the region 2280 to 2760 Å. It has been found possible to represent the band heads by means of the equation

$$^v {\text{head}} {\text{ = }} \left. {_{43182 \cdot 5}^{{\text{43311}} \cdot {\text{5}}} } \right\}_{ - [1219 \cdot 20(v'' + \tfrac{1}{2}) - 7 \cdot 48(v'' + \tfrac{1}{2})^2 ].}^{ + [761 \cdot 04(v' + \tfrac{1}{2}) - 5 \cdot 10(v' + \tfrac{1}{2})^2 ]}$$     

Dynamical generation of flavour

We propose the generation of Standard Model fermion hierarchy by the extension of renormalizable SO(10) GUT with O(N_g) family gauge symmetry. In this scenario, Higgs representations of SO(10) also carry family indices and are called Yukawons. Vacuum expectation values of these Yukawon fields break GUT and family symmetry and generate MSSM Yukawa couplings dynamically. We have demonstrated this idea using \({\mathbf {10}}\oplus {\mathbf {210}} \oplus {\mathbf {126}} \oplus {\overline {\mathbf {126}}}\) Higgs irrep, ignoring the contribution of 120-plet which is, however, required for complete fitting of fermion mass-mixing data. The effective MSSM matter fermion couplings to the light Higgs pair are determined by the null eigenvectors of the MSSM-type Higgs doublet superfield mass matrix \(\mathcal {H}\). A consistency condition on the doublet ([1,2,±1]) mass matrix (\(\text {Det}(\mathcal {H})=\) 0) is required to keep one pair of Higgs doublets light in the effective MSSM. We show that the Yukawa structure generated by null eigenvectors of \(\mathcal {H}\) are of generic kind required by the MSSM. A hidden sector with a pair of (S_ab; ?_ab) fields breaks supersymmetry and facilitates \(D_{O(N_{g})}\hspace *{-1pt}=\) 0. SUSY breaking is communicated via supergravity. In this scenario, matter fermion Yukawa couplings are reduced from 15 to just 3 parameters in MSGUT with three generations.     

Alzheimer random walk

Using the Monte Carlo simulation, we investigate a memory-impaired self-avoiding walk on a square lattice in which a random walker marks each of sites visited with a given probability p and makes a random walk avoiding the marked sites. Namely, p = 0 and p = 1 correspond to the simple random walk and the self-avoiding walk, respectively. When p> 0, there is a finite probability that the walker is trapped. We show that the trap time distribution can well be fitted by Stacy’s Weibull distribution \(b{\left( {\tfrac{a}{b}} \right)^{\tfrac{{a + 1}}{b}}}{\left[ {\Gamma \left( {\tfrac{{a + 1}}{b}} \right)} \right]^{ - 1}}{x^a}\exp \left( { - \tfrac{a}{b}{x^b}} \right)\) where a and b are fitting parameters depending on p. We also find that the mean trap time diverges at p = 0 as ~p ^{? α} with α = 1.89. In order to produce sufficient number of long walks, we exploit the pivot algorithm and obtain the mean square displacement and its Flory exponent ν(p) as functions of p. We find that the exponent determined for 1000 step walks interpolates both limits ν(0) for the simple random walk and ν(1) for the self-avoiding walk as [ ν(p) ? ν(0) ] / [ ν(1) ? ν(0) ] = p ^β with β = 0.388 when p ? 0.1 and β = 0.0822 when p ? 0.1.     

Separating Solution of a Quadratic Recurrent Equation

In this paper we consider the recurrent equation

$\Lambda_{p+1}=\frac{1}{p}\sum_{q=1}^pf\bigg(\frac{q}{p+1}\bigg)\Lambda _{q}\Lambda_{p+1-q}$

for p≥1 with f∈C[0,1] and Λ₁=y>0 given. We give conditions on f that guarantee the existence of y ⁽⁰⁾ such that the sequence Λ _p with Λ₁=y ⁽⁰⁾ tends to a finite positive limit as p→∞.

     

A New Set of Limiting Gibbs Measures for the Ising Model on a Cayley Tree

For the Ising model (with interaction constant J>0) on the Cayley tree of order k≥2 it is known that for the temperature T≥T _c,k =J/arctan?(1/k) the limiting Gibbs measure is unique, and for T<T _c,k there are uncountably many extreme Gibbs measures. In the Letter we show that if \(T\in(T_{c,\sqrt{k}}, T_{c,k_{0}})\), with \(\sqrt{k} then there is a new uncountable set \({\mathcal{G}}_{k,k_{0}}\) of Gibbs measures. Moreover \({\mathcal{G}}_{k,k_{0}}\ne {\mathcal{G}}_{k,k'_{0}}\), for k ₀≠k′₀. Therefore if \(T\in (T_{c,\sqrt{k}}, T_{c,\sqrt{k}+1})\), \(T_{c,\sqrt{k}+1} then the set of limiting Gibbs measures of the Ising model contains the set {known Gibbs measures}\(\cup(\bigcup_{k_{0}:\sqrt{k}.     

A Note on Truncated Long-Range Percolation with Heavy Tails on Oriented Graphs

We consider oriented long-range percolation on a graph with vertex set \({\mathbb {Z}}^d \times {\mathbb {Z}}_+\) and directed edges of the form \(\langle (x,t), (x+y,t+1)\rangle \), for x, y in \({\mathbb {Z}}^d\) and \(t \in {\mathbb {Z}}_+\). Any edge of this form is open with probability \(p_y\), independently for all edges. Under the assumption that the values \(p_y\) do not vanish at infinity, we show that there is percolation even if all edges of length more than k are deleted, for k large enough. We also state the analogous result for a long-range contact process on \({\mathbb {Z}}^d\).     

Investigations on the superhyperfine parameters for Cr3+ in the fluorides

The superhyperfine parameters A′ and B′ for Cr³⁺ ions in K₂NaGaF₆, K₂NaCrF₆, KMgF₃ and CsCdF₃ are theoretically studied from the cluster approach. In the present treatments, the orbital admixture coefficients and the unpaired spin densities in 2s, $ 2{\text{p}}_{\sigma } $ and $ 2{\text{p}}_{\pi } $ 2 fluorine orbitals are obtained in a uniform way. The experimental A′ and B′ are reasonably explained, and the unpaired spin densities for the 2s, 2pσ and 2pπ orbitals of the ligand F^? are also compared with those in the previous works.     

Dimensional Crossover in Anisotropic Percolation on $${\mathbb {Z}}^{d+s}$$

We consider bond percolation on \({\mathbb {Z}}^d\times {\mathbb {Z}}^s\) where edges of \({\mathbb {Z}}^d\) are open with probability \(p<p_c({\mathbb {Z}}^d)\) and edges of \({\mathbb {Z}}^s\) are open with probability q, independently of all others. We obtain bounds for the critical curve in (p, q), with p close to the critical threshold \(p_c({\mathbb {Z}}^d)\). The results are related to the so-called dimensional crossover from \({\mathbb {Z}}^d\) to \({\mathbb {Z}}^{d+s}\).     

Thermodynamic properties of water–aliphatic alcohol systems in a wide range of parameters

The results of thermal and thermodynamic (phase diagram) property calculations of water–aliphatic alcohol (methanol, ethanol, n-propanol) systems in liquid and vapor phases, as well as supercritical fluid water–methanol systems have been presented. The calculations are based on the polynomial equation of state, represented by expansion of the compressibility factor into a power series of reduced density (ω = ρ/ρ_cr and reduced temperature (τ = T/T _cr)

$$Z = \frac{p}{{RT{\rho _m}}} = 1 + \sum\limits_{i = 1}^m {\sum\limits_{j = 0}^{{n_i}} {\frac{{{a_{ij}}{\omega ^i}}}{{{\tau ^j}}}} } $$

, which describes experimental p,ρ,T,x-dependencies with an average relative error of 1.2%.