Semiempirical fine-tuning for Hartree–Fock ionization potentials of atomic ions with non-integral atomic number

Amovilli and March (2006) [8] used diffusion quantum Monte Carlo techniques to calculate the non-relativistic ionization potential I(Z)$I(Z)$ in He-like atomic ions for the range of (fractional) nuclear charges Z   lying between the known critical value _Zc=0.911$Z_{\mathrm{c}}=0.911$ at which I(Z)$I(Z)$ tends to zero and Z=2$Z=2$. They showed that it is possible to fit I(Z)$I(Z)$ to a simple quadratic expression. Following that idea, we present here a semiempirical fine-tuning of Hartree–Fock ionization potentials for the isoelectronic series of He, Be, Ne, Mg and Ar-like atomic ions that leads to excellent estimations of _Zc$Z_{\mathrm{c}}$ for these series. The empirical information involved is experimental ionization and electron affinity data. It is clearly demonstrated that Hartree–Fock theory provides an excellent starting point for determining I(Z)$I(Z)$ for these series.     

Rational r-matrices,higher rank Lie algebras and integrable proton–neutron BCS models

We study integrable cases of pairing BCS hamiltonians containing several types of fermions. We prove that there exist three classes of such integrable models associated with classical rational r  -matrices and Lie algebras gl(2m)$\mathit{gl}(2m)$, sp(2m)$\mathit{sp}(2m)$ and so(2m)$\mathit{so}(2m)$ correspondingly. We diagonalize the constructed hamiltonians by means of the algebraic Bethe ansatz. In the partial case of two types of fermions (m=2$m=2$) the obtained models may be interpreted as N=Z$N=Z$ proton–neutron integrable models. In particular, in the case of sp(4)$\mathit{sp}(4)$ we recover the famous integrable proton–neutron model of Richardson.     

A Monte Carlo model for networks between professionals and society

We propose a network model with a fixed number of nodes and links and with a dynamic which favors links between nodes differing in connectivity. We observe a phase transition and parameter regimes with degree distributions following power laws, P(k)∼k^-γ$P(k)\sim k^{-\gamma }$, with γ$\gamma$ ranging from 0.2$0.2$ to 0.5$0.5$, small-world properties, with a network diameter following D(N)∼logN$D(N)\sim \log N$ and relative high clustering, following C(N)∼1/N$C(N)\sim 1/N$ and C(k)∼k^-α$C(k)\sim k^{-\alpha }$, with α$\alpha$ close to 3. We compare our results with data from real-world protein interaction networks.     

Commuting conformal and dual conformal symmetries in the Regge limit

In this paper we continue our study of the dual SL(2,C)$\mathit{SL}(2,C)$ symmetry of the BFKL equation, analogous to the dual conformal symmetry of N=4$N=4$ super-Yang–Mills. We find that the ordinary and dual SL(2,C)$\mathit{SL}(2,C)$ symmetries do not generate a Yangian, in contrast to the ordinary and dual conformal symmetries in the four-dimensional gauge theory. The algebraic structure is still reminiscent of that of N=4$N=4$ SYM, however, and one can extract a generator from the dual SL(2,C)$\mathit{SL}(2,C)$ close to the bi-local form associated with Yangian algebras. We also discuss the issue of whether the dual SL(2,C)$\mathit{SL}(2,C)$ symmetry, which in its original form is broken by IR effects, is broken in a controlled way, similar to the way the dual conformal symmetry of N=4$N=4$ satisfies an anomalous Ward identity. At least for the lowest orders it seems possible to recover the dual SL(2,C)$\mathit{SL}(2,C)$ by deforming its representation, keeping open the possibility that it is an exact symmetry of BFKL. Independently of a possible relation to N=4$N=4$ scattering amplitudes, this opens an avenue for explaining the integrability of BFKL in terms of two finite-dimensional subalgebras.     

Can density functional theory make use of experimentally determined ground-state electron densities via the Dirac density matrix for molecules of biological interest?

More than four decades ago, March and Murray gave a perturbation theory of the single-particle(s) Dirac density matrix γs(r,r^′)${\gamma }_s(r,r^{\prime })$ to all orders in a given one-body potential energy V(r)$V(r)$. However, for density functional theory in orbital-free form, one requires the functional γs[ρ]${\gamma }_s[\rho ]$ where ρ(r)$\rho (r)$ is the ground-state electron density. Therefore, in the present study, a first-order non-linear differential equation is proposed for γs${\gamma }_s$ in terms of ρ(r)$\rho (r)$ and ∇ρ(r)$\mathrm{\nabla }\rho (r)$, plus the single-particle kinetic energy. Since this latter quantity is itself known to be a functional of ρ  , the existence of such an equation for γs${\gamma }_s$ would be a significant step along the road to determining the desired functional γs[ρ]${\gamma }_s[\rho ]$. As yet, we have succeeded in giving a rigorous proof of the proposed differential equation for γs(r,r^′)${\gamma }_s(r,r^{\prime })$ only for one- and two-level molecules. If it is subsequently proved for an arbitrary number of levels, which we believe should be possible, it would then allow γs${\gamma }_s$ to be calculated for molecules of biological interest, from experimentally measured ground-state densities ρ(r)$\rho (r)$, as the approach is entirely orbital-free.     

Partition function zeros of the antiferromagnetic Ising model on triangular lattice in the complex temperature plane for nonzero magnetic field

The grand partition functions Z(T,B)$Z(T,B)$ of the Ising model on L×L$L\times L$ triangular lattices with fully periodic boundary conditions, as a function of temperature T and magnetic field B  , are evaluated exactly for L<12$L<12$ (using microcanonical transfer matrix) and approximately for L?12$L?12$ (using Wang–Landau Monte Carlo algorithm). From Z(T,B)$Z(T,B)$, the distributions of the partition function zeros of the triangular-lattice Ising model in the complex temperature plane for real B≠0$B\ne 0$ are obtained and discussed for the first time. The critical points aN(x)$a_N(x)$ and the thermal scaling exponents yt(x)$y_t(x)$ of the triangular-lattice Ising antiferromagnet, for various values of x=e−2βB$x=e^{-2\beta B}$, are estimated using the partition function zeros.     

Lifshitz-point correlation length exponents from the large-n expansion

The large-n expansion is applied to the calculation of thermal critical exponents describing the critical behavior of spatially anisotropic d-dimensional systems at m  -axial Lifshitz points. We derive the leading non-trivial 1/n$1/n$ correction for the perpendicular correlation-length exponent _νL2${\nu }_{L2}$ and hence several related thermal exponents to order O(1/n)$O(1/n)$. The results are consistent with known large-n expansions for d  -dimensional critical points and isotropic Lifshitz points, as well as with the second-order epsilon expansion about the upper critical dimension d^?=4+m/2$d^{?}=4+m/2$ for generic m∈[0,d]$m\in [0,d]$. Analytical results are given for the special case d=4$d=4$, m=1$m=1$. For uniaxial Lifshitz points in three dimensions, 1/n$1/n$ coefficients are calculated numerically. The estimates of critical exponents at d=3$d=3$, m=1$m=1$ and n=3$n=3$ are discussed.     

Magnetic properties of the bond and crystal field dilution spin-3/2 Blume–Capel model in an external magnetic field

Magnetic properties of the bond and crystal field dilution spin-3/2 Blume–Capel model in an external magnetic field (h)$(h)$ on simple cubic lattice are studied by using the effective field theory. In the m−T$m-T$ plane, the degeneracy of the magnetization (m)$(m)$ is affected by the concentration of bond or crystal field dilution at low temperature (T)$(T)$. The magnetization curves can appear to fluctuate in certain regions of negative crystal field. In the m−h$m-h$ plane, the initial magnetization curve has an irregular behavior due to the introduction of bond dilution. The crystal field dilution has the influence on the process of magnetic domain displacement. In the χ−h$\chi -h$ plane, there exists one susceptibility (χ)$(\chi )$ shoulder and one step for different negative crystal field. The susceptibility curve takes on the feature of multi-peaks distribution under bond and crystal field dilution conditions.     

Schizophrenic active neutrinos and exotic sterile neutrinos

We implement a schizophrenic scenario for the active neutrinos in a model in which there are also exotic right-handed neutrinos making a model with a local U_(1)B−L$U{(1)}_{B-L}$ anomaly free. Two of right-handed neutrinos carry B−L=−4$B-L=-4$ while the third one carries B−L=5$B-L=5$. Unlike the non-exotic version of the model, in which all right-handed neutrinos carry the same B−L=−1$B-L=-1$ charge, in this case the neutrinos have their own scalar sector and no hierarchy in the Yukawa coupling in the Dirac mass term is necessary.     

Understanding the radiative decays of vector charmonia to light pseudoscalar mesons

We show that the newly measured branching ratios of vector charmonia (J/ψ$J/\psi$, ψ^′${\psi }^{\prime }$ and ψ(3770)$\psi (3770)$) into γP, where P   stands for light pseudoscalar mesons π⁰${\pi }^0$, η  , and η^′${\eta }^{\prime }$, can be well understood in the framework of vector meson dominance (VMD) in association with the ηc–η(η^′)${\eta }_c\text{–}\eta ({\eta }^{\prime })$ mixings due to the axial gluonic anomaly. These two mechanisms behave differently in J/ψ$J/\psi$ and ψ^′→γP${\psi }^{\prime }\to \gamma P$. A coherent understanding of the branching ratio patterns observed in J/ψ(ψ^′)→γP$J/\psi ({\psi }^{\prime })\to \gamma P$ can be achieved by self-consistently including those transition mechanisms at hadronic level. The branching ratios for ψ(3770)→γP$\psi (3770)\to \gamma P$ are predicted to be rather small.     

Hadro-charmonium

We argue that relatively compact charmonium states, J/ψ$J/\psi$, ψ(2S)$\psi (2S)$, χc${\chi }_c$, can very likely be bound inside light hadronic matter, in particular inside higher resonances made from light quarks and/or gluons. The charmonium state in such binding essentially retains its properties, so that the bound system decays into light mesons and the particular charmonium resonance. Thus such bound states of a new type, which we call hadro-charmonium, may explain the properties of some of the recently observed resonant peaks, in particular of Y(4.26)$Y(4.26)$, Y(4.32–4.36)$Y(4.32\text{–}4.36)$, Y(4.66)$Y(4.66)$, and Z(4.43)$Z(4.43)$. We discuss further possible implications of the suggested picture for the observed states and existence of other states of hadro-charmonium and hadro-bottomonium.     

Renormalization-group flow for the field strength in scalar self-interacting theories

We consider the renormalization-group coupled equations for the effective potential V(?)$V(?)$ and the field strength Z(?)$Z(?)$ in the spontaneously broken phase as a function of the infrared cutoff momentum k  . In the k→0$k\to 0$ limit, the numerical solution of the coupled equations, while consistent with the expected convexity property of V(?)$V(?)$, indicates a sharp peaking of Z(?)$Z(?)$ close to the end points of the flatness region that define the physical realization of the broken phase. This might represent further evidence in favor of the non-trivial vacuum field renormalization effect already discovered with variational methods.     

The nature of ZZ branes

In minimal non-critical string theory we show that the principal (r,s)$(r,s)$ ZZ brane can be viewed as the basic (1,1)$(1,1)$ ZZ boundary state tensored with the (r,s)$(r,s)$ Cardy boundary state. In this sense there exists only one ZZ boundary state, the basic (1,1)$(1,1)$ boundary state.     

Probing dark energy using its density instead of its equation of state

The variation of dark energy density with redshift, ρX(z)${\rho }_X(z)$, provides a critical clue to the nature of dark energy. Since ρX(z)${\rho }_X(z)$ depends on the dark energy equation of state wX(z)$w_X(z)$ through an integral, ρX(z)${\rho }_X(z)$ can be constrained more tightly than wX(z)$w_X(z)$ given the same observational data. We demonstrate this explicitly using current type Ia supernova (SN Ia) data [the Tonry/Barris sample], together with the Cosmic Microwave Background (CMB) shift parameter from CMB data (WMAP, CBI, and ACBAR), and the large scale structure (LSS) growth factor from 2dF galaxy survey data. We assume a flat universe, and use Markov Chain Monte Carlo (MCMC) technique in our analysis. We find that, while wX(z)$w_X(z)$ extracted from current data is consistent with a cosmological constant at 68% C.L., ρX(z)${\rho }_X(z)$ (which has far smaller uncertainties) is not. Our results clearly show the advantage of using ρX(z)${\rho }_X(z)$, instead of wX(z)$w_X(z)$, to probe the variation of dark energy.     

Multiple layer structure of non-Abelian vortex

Bogomolny–Prasad–Sommerfield (BPS) vortices in U(N)$U(N)$ gauge theories have two layers corresponding to non-Abelian and Abelian fluxes, whose widths depend nontrivially on the ratio of U(1)$U(1)$ and SU(N)$\mathit{SU}(N)$ gauge couplings. We find numerically and analytically that the widths differ significantly from the Compton lengths of lightest massive particles with the appropriate quantum number.     

The exact decomposition of gauge variables in lattice Yang–Mills theory

In this Letter, we consider lattice versions of the decomposition of the Yang–Mills field a la Cho–Faddeev–Niemi, which was extended by Kondo, Shinohara and Murakami in the continuum formulation. For the SU(N)$\mathit{SU}(N)$ gauge group, we propose a set of defining equations for specifying the decomposition of the gauge link variable and solve them exactly without using the ansatz adopted in the previous studies for SU(2)$\mathit{SU}(2)$ and SU(3)$\mathit{SU}(3)$. As a result, we obtain the general form of the decomposition for SU(N)$\mathit{SU}(N)$ gauge link variables and confirm the previous results obtained for SU(2)$\mathit{SU}(2)$ and SU(3)$\mathit{SU}(3)$.     

The weak energy condition and the expansion history of the Universe

We examine flat models containing a dark matter component and an arbitrary dark energy component, subject only to the constraint that the dark energy satisfies the weak energy condition. We determine the constraints that these conditions place on the evolution of the Hubble parameter with redshift, H(z)$H(z)$, and on the scaling of the coordinate distance with redshift, r(z)$r(z)$. Observational constraints on H(z)$H(z)$ are used to derive an upper bound on the current matter density. We demonstrate how the weak energy condition constrains fitting functions for r(z)$r(z)$.