Partial virial theorems for atomic-molecular systems

New virial relations for three-and four-particle atomic-molecular systems are proposed. Using operators of extension or squeezing of interparticle distances, it is shown that, for all pairs of j and k particles in S states of these systems, the following partial virial relations are valid: 〈2T _jk 〉+〈 V _jk 〉=0, where 〈V _jk 〉 is the average Coulomb interaction energy for a pair of particles and 〈T _jk 〉 is a part of the average kinetic energy of the system. There are three and six such relations for three-and four-particle systems, respectively. The conventional virial theorem (〈 2T〉+〈V〉=0) for the average total kinetic and potential energies of the system (〈 T〉 and 〈V〉, respectively) corresponds to the summation of partial virial relations over all pairs of particles. It is shown by an example of variational calculations of the helium atom ⁴He²⁺ e ^? e ^? and the helium muon-electron mesoatom ⁴He²⁺μ^? e ^? that partial virial relations are a highly sensitive indicator of the accuracy of wave functions.     

Inelastische Positronenstreuung am Atomkern

The ratio of the total and differential cross section for the inelastic positron-nucleus scattering (ē, N)-process to the total (γ, N) -cross section is derived in Born approximation for electric and magnetic dipole transitions. The result agrees with that obtained for the (e, N)-processes. Using the relativistic Coulomb Eigenfunctions for the continuous spectrum of the positrons, the Coulomb correction, the effect of screening and that of finite nuclear size agree with the (e, N)-process, when the annihilation of positrons with atomic electrons is neglected, and for positron energiesE _1,2 ⁺ >10 MeV. The effect of finite nuclear size is only calculated in Born approximation. ForE _1,2 ⁺ ≦2 MeV only the Coulomb correction differs from that obtained for the (e, N)-process. In the angular distribution for the (ē, N)-process there should be no interference of positron waves scattered by different multipoles, where the inelastic scattered positrons are detected. Numerical calculations have been carried out for nuclei withZ=6.29 and 82 and scattering angles ?=1°, 132°, 160° and 180° of the positron. This theory can be compared with the experiments in progress by W.C.Barber et al. using positrons for the inelastic scattering process at nuclei. The two-and three-virtual quanta-exchange effect in the (ē, N)-cross section is below 1.3% for positron energies between 10≦E ₁ ⁺ ≦300 MeV, and decreases rapidly for higher energies. This theory is also valied for inelastic scattering processes with positiveμ-mesons at nuclei; one has only to change the mass in the following equations.     

Coulomb Rydberg electron <Emphasis Type="Italic">L</Emphasis>-mixing in collisions with atomic ions

The cross sections of the Rydberg electron L-mixing in a hydrogen atom and a hydrogen-like ion are calculated for slow collisions with atomic ions H*(n, L) + A⁺ = H*(n, L′) + A⁺ without variation of the principal quantum number n. The probability of the L-mixing L → L′ is associated with the quantum interference of the wave functions of adiabatic states, i.e., with the mixing of the time phases of these functions exp(?i∫E _k (t)dt). The effective cross section of such L-mixing for the states with n = 28 are 4–5 orders of magnitude greater than the cross sections determined in previous investigations. The expansion coefficients of spherical Coulomb wave functions in terms of parabolic ones and vice versa, which are necessary for determining cross sections, are calculated on the basis of a comprehensive analysis of the spatial properties of these functions.     

On the binding of atoms with antiatoms

The stability of X⁺Y⁺X^?Y^? Coulomb molecules consisting of X⁺Y^? atoms and X^?Y⁺ antiatoms to dissociation is studied. On the basis of multiparameter variational calculations, it is found that such molecules are stable to dissociation into X⁺X^? atoms and Y⁺Y^? antiatoms if the mass ratio of particles X and Y lies in the range 0.4710<m _X /m _Y <2.1231. The e⁺e⁺e^?e^?, π⁺μ⁺π^?μ^?, t⁺d⁺t^?d^?, p⁺K⁺p^?K^?, and d⁺p⁺d^?p^? molecules satisfy this condition.     

Ab initio calculations of Born charges in ferroelectrics with a perovskite structure

A method has been proposed for calculating Born effective charges in compounds with a cubic perovskite structure. The method is based on the first-principles calculation of individual contributions from the short-range interaction and the intercell dipole-dipole interaction to the Born tensor Z _ii (s) for crystalline dielectrics. It has been shown that the contribution from the short-range interaction Z _ii ^sr (s) to the Born tensor components can be derived from ab initio calculations performed for polyatomic clusters. The results of the calculations of the short-range interactions Z _ii ^sr (s) for the cubic phases of the BaTiO₃, SrTiO₃, CaTiO₃, PbTiO₃, BaZrO₃, PbZrO₃, KNbO₃, and KTaO₃ compounds with the use of the electronic structure calculations within the Hartree-Fock approximation and the density functional theory are presented. For the BaTiO₃, SrTiO₃, CaTiO₃, PbTiO₃, KNbO₃, and KTaO₃ compounds, the components of the complete Born tensor have been also calculated. The obtained values of Z _ii (s) are in good agreement with the results of the calculations in terms of the linear response theory and the Berry phase approach.     

Asymptotic Normalization Coefficients in a Potential Model Involving Forbidden States

It is shown that values obtained for asymptotic normalization coefficients by means of a potential fitted to experimental data on elastic scattering depend substantially on the presence and the number n of possible forbidden states in the fitted potential. The present analysis was performed within exactly solvable potential models for various nuclear systems and various potentials without and with allowance for Coulomb interaction. Various methods for changing the number n that are based on the use of various versions of the change in the parameters of the potential model were studied. A compact analytic expression for the asymptotic normalization coefficients was derived for the case of the Hulthén potential. Specifically, the d + α and α + ¹²C systems, which are of importance for astrophysics, were examined. It was concluded that an incorrect choice of n could lead to a substantial errors in determining the asymptotic normalization coefficients. From the results of our calculations, it also follows that, for systems with a low binding energy and, as a consequence, with a large value of the Coulomb parameter, the inclusion of the Coulomb interaction may radically change the asymptotic normalization coefficients, increasing them sharply.     

Coulomb deexcitation of muonic hydrogen within the quantum close-coupling method

The Coulomb deexcitation of muonic hydrogen in collisions with the hydrogen atom has been studied in the framework of the fully quantum-mechanical close-coupling method for the first time. The calculations of the l-averaged cross sections of the Coulomb deexcitation are performed for (μp)_n and (μd)_n atoms in the initial states with the principal quantum number n = 3–9 and at relative energies E = 0.1–100 eV. The obtained results for the n and E dependences of the Coulomb deexcitation cross sections drastically differ from the semiclassical results. An important contribution of the transitions with Δn > 1 to the total Coulomb deexcitation cross sections (up to ～37%) is predicted.     

Variable-range hopping conduction in LaMnO<Subscript>3 + δ</Subscript>

The temperature dependence of the electrical resistivity ρ(T) for ceramic samples of LaMnO_{3 + δ} (δ = 0.100–0.154) are studied in the temperature range T = 15–350 K, in magnetic fields of 0–10 T, and under hydrostatic pressures P of up to 11 kbar. It is shown that, above the ferromagnet-paramagnet transition temperature of LaMnO_{3 + δ}, the dependence ρ(T) of this compound obeys the Shklovskii-Efros variable-range hopping conduction: ρ(T) = ρ₀(T)exp[(T ₀/T)^1/2], where ρ₀(T) = AT ^9/2 (A is a constant). The density of localized states g(?) near the Fermi level is found to have a Coulomb gap Δ and a rigid gap γ(T). The Coulomb gap Δ assumes values of 0.43, 0.46, and 0.48 eV, and the rigid gap satisfies the relationship γ(T) ≈ γ(T _v)(T/T _v)^1/2, where T _v is the temperature of the onset of variable-range hopping conduction and γ(T _v) = 0.13, 0.16, and 0.17 eV for δ = 0.100, 0.125, and 0.154, respectively. The carrier localization lengths a = 1.7, 1.4, and 1.2 Å are determined for the same values of δ. The effect of hydrostatic pressure on the variable-range hopping conduction in LaMnO_{3 + δ} with δ = 0.154 is analyzed, and the dependences Δ(P) and γ_v(P) are obtained.     

Die Hyperfeinstruktur in den 4f7 6s 6p-Termen des Eu I und die elektrischen Kernquadrupolmomente von Eu151 und Eu153

The hyperfine structure of the statesz ¹⁰ P _11/2,z ¹⁰ P _9/2,z ¹⁰ P _7/2,z ⁸ P _9/2,y ⁸ P _9/2,y ⁸ P _7/2,y ⁸ P _5/2,z ⁶ P _7/2,z ⁶ 6s P _5/2 of the 4f ⁷ 6p configuration of EuI was investigated with a photoelectric recording Fabry Perot spectrometer using enriched isotopes of Eu¹⁵¹ and Eu¹⁵³, which have been excited in liquid air cooled hollow cathodes. From the measurements the values for the nuclear quadrupole moments

$$Q(Eu^{151} ) = (1.16 \pm 0.08) \cdot 10^{ - 24} cm^2 $$     

Elastic scattering of light nuclei through a simple potential model

The phase function method is adapted to deal with the scattering on our proposed interactions for α–α and α–³He systems. The effect of the electromagnetic interaction is included in terms of a screened Coulomb potential. Based on our proposed potential models we present results for α–α and α–³He elastic scattering phase shifts which compare well with more detailed calculations.     

Multiple exchanges in lepton pair production in high-energy heavy ion collisions

As an archetype reaction for pQCD multigluon hard processes in collisions of ultrarelativistic nuclei, we analyze generic features of lepton pair production via multiphoton processes in peripheral heavy ion scattering. We report explicit results for collisions of two photons from one nucleus with two photons from the other nucleus, 2γ + 2γ → l⁺l^?. The results suggest that the familiar eikonalization of Coulomb distortions breaks down for oppositely moving Coulomb centers. The breaking of eikonalization in QED suggests that multigluon pQCD processes cannot be described in terms of collective nuclear gluon distributions. We discuss a logarithmic enhancement of the contribution from the 2γ + 2γ → l⁺l^? process to production of lepton pairs with large transverse momentum; similar enhancement is absent for the nγ + mγ → l⁺l^? processes with m, n > 2. We comment on the general structure of multiphoton collisions and properties of higher-order terms that cannot be eikonalized.     

Production of Transuranium Nuclides in Pulsed Neutron Fluxes from Thermonuclear Explosions

The production of transuranium nuclides in pulsed neutron fluxes from thermonuclear explosions has been studied within the kinetic model of the astrophysical r-process taking into account the time dependence of external parameters and processes accompanying the beta decay of neutron-rich nuclei. Neutron fluxes depending on the time in the range of ~10^–6 s have been simulated within the developed adiabatic binary model. The probabilities of beta-delayed processes have been calculated within the microscopic theory of finite Fermi systems. The yields of transuranium nuclides Y(A) have been calculated for three experimental thermonuclear explosions Mike (Y_M), Par (Y_P), and Barbel (Y_B) (United States). The rms deviations of the calculations from experimental data are 91, 33, and 29% for Y_M, Y_P, and Y_B, respectively. These deviations are much smaller than those for other known calculations and are comparable with the proposed exponential approximation ensuring rms deviations of 56, 86.8, and 60.2% for Y_M, Y_P, and Y_B, respectively. The even–odd anomaly in the observed yields of heavy nuclei is explained by the dominant effect of processes accompanying the beta decay of heavy neutron-rich isotopes.     

Quark-antiquark composite systems: The Bethe-Salpeter equation in the spectral-integration technique

The Bethe-Salpeter equations for the quark-antiquark composite systems, q\(\bar q\), are written in terms of spectral integrals. For the q\(\bar q\) mesons characterized by the mass M, spin J, and radial quantum number n, the equations are presented for the following (n, M²) trajectories: π _J , η _J , a _J , f _J , ρ _J , ω _J , h _J , and b _J .     

Precision measurements of optical excitation functions for the mercury atom

We describe a computer-based facility for studying the excitation of atoms by ultramonochromatic electrons and give optical excitation functions for the 12 mercury spectral lines that originate from the n ¹ S ₀, n ¹ P ₁, n ¹ D ₂, n ³ S ₁, n ³ P _j , and n ³ D _j levels. We detected about 100 features in the energy dependences measured from the excitation threshold to 15.5 eV. The previously found positions of the features on the energy scale are in good agreement with our results. Most of the resonant features are shown to be mainly attributable to the decay of short-lived states of the negative mercury ion. We detected a postcollision interaction effect in the optical excitation functions of the lines that originate from the n ¹ S ₀ levels at energies of about 11 eV.     

Stability of Coulomb systems

The stability of m ₁ ⁺ m ₂ ⁺ m ₃ ^? m ₄ ^? Coulomb systems formed by particles of unit charge against dissociation is considered as a function of the particle mass. It is shown that, from the stability of the m ₁ ⁺ m ₂ ⁺ m ₃ ^? three-particle system, it follows that the m ₁ ⁺ m ₂ ⁺ m ₃ ^? m ₄ ^? four-particle system containing an additional particle of mass satisfying the condition m ₄ ^? ? m ₃ ^? is stable. The results of calculations of the stability domain for m ₁ ⁺ m ₂ ⁺ m ₃ ^? systems asymmetric in particle masses are reported. The stability of 39 asymmetric exotic four-particle molecules and mesic molecules against dissociation is established.     

Differential-geometric structures associated with Lagrangians corresponding to scalar physical fields

The paper is devoted to the investigation, using the method of Cartan–Laptev, of the differential-geometric structure associated with a Lagrangian L, depending on a function z of the variables t, x ¹,...,x ⁿ and its partial derivatives. Lagrangians of this kind are considered in theoretical physics (in field theory). Here t is interpreted as time, and x ¹,...,x ⁿ as spatial variables. The state of the field is characterized by a function z(t, x ¹,..., x ⁿ ) (a field function) satisfying the Euler equation, which corresponds to the variational problem for the action integral. In the present paper, the variables z(t, x ¹,..., x ⁿ are regarded as adapted local coordinates of a bundle of general type M with n-dimensional fibers and 1-dimensional base (here the variable t is simultaneously a local coordinate on the base). If we agree to call t time, and a typical fiber an n-dimensional space, then M can be called the spatiotemporal bundle manifold. We consider the variables t, x ¹,...,x ⁿ , z (i.e., the variables t, x ¹,...,x ⁿ with the added variable z) as adapted local coordinates in the bundle H over the fibered base M. The Lagrangian L, which is a coefficient in the differential form of the variational action integral in the integrand, is a relative invariant given on the manifold J ¹ _H (the manifold of 1-jets of the bundle H). In the present paper, we construct a tensor with components Λ⁰⁰, Λ⁰ⁱ , Λ ^ij (Λ ^ij = Λ ^ji ) which is generated by the fundamental object of the structure associated with the Lagrangian. This tensor is an invariant (with respect to admissible transformations the variables t, x ¹,...,x ⁿ , z) analog of the energy-momentum tensor of the classical theory of physical fields. We construct an invariant I, a vector G ⁱ , and a bivalent tensor G ^jk generated by the Lagrangian. We also construct a relative invariant of E (in the paper, we call it the Euler relative invariant) such that the equation E = 0 is an invariant form of the Euler equation for the variational action integral. For this reason, a nonvariational interpretation of the Euler equation becomes possible. Moreover, we construct a connection in the principal bundle with base J ² H (the variety of 2-jets of the bundle H) and with the structure group GL(n) generated by the structure associated with the Lagrangian.     

Ground-state energy and stability of three-particle coulomb systems versus the masses of the particles involved

The ground-state energy of three-particle Coulomb systems (trions) is investigated versus the masses of the particles involved. Variational calculations are performed for 34 asymmetric trions X^±Y^±Z^? consisting of electrons, muons, pions, kaons, nuclei of hydrogen isotopes and their antiparticles, as well as for more than 100 auxiliary three-particle systems involving particles of masses chosen arbitrarily. Wide bases of Laguerre exponential-polynomial functions depending on perimetric particle coordinates are used. Approximate analytic formulas for the ground-state energies of all trions X^±Y^±Z^? with arbitrary particle masses are constructed on the basis of the values found here for the energies of asymmetric trions and the values calculated previously for the energies of symmetric trions X^±X^±Z^?. Particle-mass regions are determined where trions are stable with respect to dissociation. In addition to symmetric trions X^±X^±Z^?, which are stable at any particle masses, asymmetric trions X^±X^±Z^? possess the stability property if the masses of the particles X and Y exceed the mass of the particle Z, where, by Z, we mean, for example, an electron, a muon, a pion, or a kaon. The t⁺d⁺p^? and t⁺d⁺d^? combinations of hydrogen nuclei and antinuclei are also stable with respect to dissociation. The general properties of the ground-state trion energy as a function of the particle masses are discussed.     

Screened self-energy correction to the 2<Emphasis Type="Italic">p</Emphasis><Subscript>3/2</Subscript>-2<Emphasis Type="Italic">s</Emphasis> transition energy in Li-like ions

We present an ab initio calculation of the screened self-energy correction for 1s² 2p_3/2 and 1s² 2s states of Li-like ions with nuclear charge numbers in the range Z = 12?100. The evaluation is carried out to all orders in the nuclear strength parameter Zα. This investigation concludes our calculations of all two-electron QED corrections for the 2p_3/2-2s transition energy in Li-like ions and thus considerably improves theoretical predictions for this transition for high-Z ions.