Ab Initio Calculation of the Lowest Singlet and Triplet Excited States of the N<Subscript>2</Subscript> Molecule

Ab initio calculations of the adiabatic potential curves and matrix elements of radial nonadiabatic coupling of the N₂ molecule for the states related to dissociation limits I–V were performed. The most important spectral characteristics of the adiabatic states agreed well with the available experimental and theoretical data. The diabatic states were constructed. The diabatic quantum defects and radial matrix elements of the configuration interaction of the dissociative and Rydberg configurations whose states converge to the ground state \(X^{2}\Sigma{_g^+}\) and the first electronically excited state A²Π_u of the \(\rm{N_2^+}\) ion were calculated. The possibility of using the results for calculating the cross sections and rate constants of dissociative recombination and associative ionization within the framework of the multichannel quantum defect theory was discussed.     

Laser control of low-temperature reaction <Emphasis Type="Italic">e</Emphasis><Superscript>−</Superscript> + O<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack>

A theory is developed to describe dissociative recombination of a slow electron with a ground-state molecular ion of oxygen driven by a strong monochromatic electromagnetic field. Mathematically, the theory is based on the time-independent formalism of radiative scattering matrix whose poles correspond to dressed intermediate states of the complex. The analysis embraces both transitions to dissociative states and laserinduced nonadiabatic transitions to intermediate bound states of valence configurations. Key reaction mechanisms are considered, and a classification is given of all allowed transitions to dissociative states. Partial and total reaction cross sections are calculated by taking into account the contributions from Rydberg, valence, and dissociative states of O₂^**. A detailed discussion of results is presented, and feasibility of laser control of the reaction is demonstrated.     

Center-of-mass deflections in two processes: Collision-induced dissociations of 10 keV H 2 + ions in their electronic ground state 1sσ g and dissociative electron capture

By means of a flight-time difference apparatus the two collision induced processes of dissociative vibrational excitations $$H_2^ + (10keV,1s\sigma _g ) + target \to (H_2^ + )*(1s\sigma _g ) \to H^ + + H(1s)$$ and $$H_2^ + (10keV,1s\sigma _g ) + target \to (H_2 )*(unspecified) \to H + H$$ have been determined from an asymmetry in the lab-frame resulting from deflections of the centers-of-mass of the incident projectiles. H⁺+H velocity distributions from vibrational excitations of the electronic ground state of the H ₂ ⁺ ions will be presented which have been directly measured. Competition of any of the higher lying electronically excited states of the projectiles is estimated to be negligible. In the case of dissociative electron capture combined with simultaneous deflections of the centers-of-mass the electronic states of the intermediate H₂ molecules and of the H fragments could not be specified.     

Shell-model calculation of51V using pairing-plus-surface-tensor-interaction

Employing⁴⁸Ca as the core, the structure of⁵¹V is studied in the framework of a conventional shell-model. A pairing-plus-surface-tensor-interaction is used as the effective two-body interaction. Besides all configurations arising from 1f _7/2 and 2p _3/2 single-particle orbits, configurations of the form wheren ₁+n ₂=3 (the number of extracore protons) andn ₂ = 1, 2 are also considered. Low-lying energy levels are calculated and a satisfactory agreement with the experimental values is obtained. Our calculated density of states is higher than that reported previously. We also present theB(E2) values for transitions between low-lying levels and the spectroscopic factors for the⁵⁰Ti (³He, d)⁵¹V reaction. The dependence of the interaction parameters on the mass number of the core nucleus is also studied.     

Cross section and rate coefficient calculations for electron impact excitation, ionisation and dissociation of the X 1Σg+, c 3Πu, a 3Σ g+, e 3Σu+ and B′1Σu+ states of H2

The weighted total cross section (WTCS) theory has been applied to the electron-H₂ collision to obtain excitation, ionisation and dissociation cross section and rate coefficients of the X ¹S_g⁺^{1}\!\Sigma _{g}^{+}, c ³P_u^{3}\!\Pi _{u}, a ³S_g⁺^{3}\!\Sigma _{g}^{+}, e $^{3}\!\Sigma _{u}^{+}$^{3}\!\Sigma _{u}^{+} and B^{′ 1}S_u⁺^{1}\!\Sigma _{u}^{+} states. Calculation has been performed in the temperature range 1500 K–15000 K. Rate coefficients are calculated from WTCS assuming Maxwellian energy distribution functions for electrons and heavy particles. Thermal equilibrium results are presented and fitting parameters (a, b and c) are given for each reaction rate coefficient: k(θ) = a (θ^b) exp(-c/θ).     

Detection by two-photon ionization and magnetic trapping of cold Rb2 triplet state molecules

We present detailed experimental spectra and accurate theoretical interpretation of resonance-enhanced two-photon ionization of ultracold rubidium molecules in the 14000–17000 cm^-1 transition energy range. The dimers are formed in a magneto-optical trap by photoassociation followed by radiative decay into the a ³Σ_u⁺ lowest triplet state. The theoretical treatment of the process, which reproduces the main features of the spectra, takes into account the photoassociation and decay steps as well as the resonant ionization through the manifold of intermediate gerade states correlated to the 5S + 4D limit. In particular, the energy of the v=1 level of the potential well has been determined for the first time. In addition, a tight constraint has been put on the position of the a ³Σ_u⁺ repulsive wall. Finally, magnetic trapping of rubidium molecules in the a ³Σ_u⁺ state is demonstrated. Electronic supplementary material Online Material     

Test of quantum mechanics by neutron interferometry

Measurements of the π⁰ and direct photon nuclear modification factors in p+p and A+A collisions in the PHENIX experiment at RHIC will be reviewed and recent results at  GeV will be presented. Using for the first time the p+p reference measured in the same experiment instead of averaging world data the π⁰ suppression turns out to be almost as large at  GeV as at  GeV, implying gluon densities dN^g/dy>800. Possible origins of photon suppression at high p_T in  GeV are discussed in light of the new results on photon R_AA at  GeV.     

Solid Substrate-Room Temperature Phosphorescence Method for the Determination of Trace Mn(II) Based on Oxidizing Reaction of Hydrogen Peroxide Using α,α′-Bipyridine as Sensitizer

A new solid substrate-room temperature phosphorescence (SS-RTP) method for the determination of trace manganese (II) has been established. It bases on the fact that fullerol (R) emits strong and stable room temperature phosphorescence (RTP) on filter paper substrate. H₂O₂ can oxidize R to cause the SS-RTP quenching. But manganese (II) can obstruct H₂O₂ to oxidize R, and enhance the RTP of R. α,α′-Bipyridine (Bipy) can sensitize the RTP. After adding Bipy, the ΔI _p enhances 7 times than that without Bipy. Under the optimum conditions, the linear dynamic range of this method is 0.016–1.12 pg spot⁻¹ with a detection limit (L.D.) of 4.6 fg spot⁻¹ ( is the absolute mass of Mn²⁺), and the regression equation of working curve is ΔI _p=25.20 + 63.55 (pg spot⁻¹), n=6, r=0.9983. For 0.016 and 1.12 pg spot⁻¹ Mn²⁺, RSDS are 4.3 and 4.8%, respectively (n=7). This method has been applied to the determination of trace manganese (II) in actual sample with high sensitivity and good selection. And the reaction mechanism of SS-RTP is discussed.     

Nuclear quadrupole moments of 5/2<Superscript>-</Superscript> and 9/2<Superscript>-</Superscript> states in <Superscript>169</Superscript>Ta

The nuclear spectroscopic quadrupole moments for the πh_9/25/2^-, 1/2^-[541] and the πh_11/29/2^-, 9/2^-[514] isomeric states in ¹⁶⁹Ta have been measured employing the time differential perturbed angular-distribution technique following the nuclear reaction ¹⁵⁹Tb(¹⁶O, 6nγ)¹⁶⁹Ta at beam energy 104 MeV. The ratio of the intrinsic quadrupole moments has been derived as 1.87(13) from the measured quadrupole precession frequencies of the corresponding states. The model-independent analysis of the equilibrium deformation indicates strong prolate- and oblate-driving nature of the 1/2^-[541] and 9/2^-[514] orbitals in ^169,171Ta isotopes, respectively.     

Recurrence procedure for calculating kernels of the nonlinear collision integral of the Boltzmann equation

A recurrence procedure for a sequential construction of kernels \(G_{{l_1},{l_2}}^l\) (c, c₁, c₂) appearing upon the expansion of a nonlinear collision integral of the Boltzmann equation in spherical harmonics is developed. The starting kernel for this procedure is kernel G_0,0⁰ (c, c₁, c₂) of the collision integral for the distribution function isotropic with respect to the velocities. Using the recurrence procedure, a set of kernels \(G_{{l_1},{l_2}}^{ + l}\) (c, c₁, c₂) for a gas consisting of hard spheres and Maxwellian molecules is constructed. It is shown that the resultant kernels exhibit similarity and symmetry properties and satisfy the relations following from the conservation laws.     

Electron impact dissociation of ND<Superscript>+</Superscript>: formation of D<Superscript>+</Superscript>

Absolute cross sections for electron impact dissociation of ND⁺ leading to the formation of D⁺ have been measured by applying the animated electron-ion beam method in the energy range from the reaction threshold up to 2.5 keV. The maximum inclusive cross section is observed to be (16.8 ± 0.8) × 10⁻¹⁷ cm² at the electron energy of 65.1 eV. The appearance energy for the D⁺ production is measured to be (4.0 ± 0.5) eV. Collected data are analyzed in details by means of an original procedure in order to determine separately the contributions of dissociative channels. A specific Monte Carlo modeling has been developed, which is proven to reconstruct adequately the dissociative ionization cross section. The present energy thresholds provide information about the ground and excited states of the molecular ion, as well as about the possible population of the vibrational levels. The reaction D₂(v) + N⁺ (or H₂(v) + N⁺) is a probable source for that population and it constitutes the first step of the molecular activated processes, so the corresponding chain of reactions has to be considered to study the chemistry of plasma sources.     

Collective bands of the positive parity states inf 7/2 shell nuclei

Collective bands of the positive parity states in odd-A f _7/2 shell nuclei are described in the framework of deformed Hartree-Fock theory by projecting states from lowest energy intrinsic states with (d ₃ ^2/−1 f ₇ ^2/n+1 ) one hole configurations. In the calculation empirical (d _3/2 −f _7/2)² effective matrix elements have been used to test the tacit assumptions of the Bansal and French model.     

Upconversion blue emission dependence on the pump mechanism for Tm<Superscript>3+</Superscript>-heavy-doped NaY(WO<Subscript>4</Subscript>)<Subscript>2</Subscript> crystal

Upconversion blue emissions of Tm³⁺-ion-heavy-doped NaY(WO₄)₂ crystals are investigated with three different near-infrared pump mechanisms. The dependence of upconversion efficiency on the pump mechanism is analyzed from the scope of the concentration quenching effect. Three cross-relaxation processes, , , and , which influence the upconversion dominantly in the Tm³⁺-heavy-doped system, are demonstrated theoretically and experimentally. The results indicate that Yb³⁺ ions can weaken the concentration quenching effect of Tm³⁺ ions significantly so that the blue emission efficiency can be enhanced by one order of magnitude. At the same time, the wavelength of the pump source also has considerable influence on both the population of some crucial energy levels and the upconversion mechanism. Experiments show that the upconversion blue emission in Tm³⁺/Yb³⁺ co-doped NaY(WO₄)₂ crystal under 980-nm laser diode excitation is the most intensive of these three different near-infrared pump mechanisms. The conclusions are confirmed by spectra measurements and calculations of Judd–Ofelt theory and Miyakawa–Dexter theory. PACS 42.70.Hj; 78.55.-m     

Electron-impact ionization and dissociation of C<Subscript>2</Subscript>D<Superscript>+</Superscript>

Absolute cross sections for electron-impact single ionization, dissociative excitation and dissociative ionization of the ethynyl radical ion (C₂D⁺)^+) have been measured for electron energies ranging from the corresponding reaction thresholds to 2.5 keV. The animated crossed electron-ion beam experiment is used and results have been obtained for the production of C₂D²⁺, C²⁺, C₂⁺_2^+ , CD⁺, C⁺ and D⁺. The maximum of the cross section for single ionization is found to be (2.01 ± 0.02) × 10^-17 cm², at the incident electron energy of 105 eV. Absolute total cross sections for the various singly charged fragments production are observed to decrease by a factor of almost three, from the largest cross-section measured for C⁺, over C₂⁺_2^+ and CD⁺ down to that of D⁺. The maxima of the cross sections are obtained to be (14.5 ± 0.5) × 10^-17 cm² for C₂⁺_2^+, (12.1 ± 0.1) × 10^-17 cm² for CD⁺, (27.7 ± 0.2) × 10^-17 cm² for C⁺ and (11.1 ± 0.8) × 10^-17 cm² for D⁺. The smallest cross section is measured to be (1.50 ± 0.04) × 10^-18 cm² for the production of the doubly charged ion C²⁺. Individual contributions for dissociative excitation and dissociative ionization are determined for each singly-charged product. The cross sections are presented in closed analytic forms convenient for implementation in plasma simulation codes. Kinetic energy release distributions of dissociation fragments are seen to extend from 0 to 6 eV for the heaviest fragment C₂⁺_2^+, up to 11.0 eV for CD⁺, 14.2 eV for C⁺ and 11.2 eV for D⁺ products.     

Octupole-deformed molecular bands in 21Ne

Cluster states up to 12 MeV in the stable light nucleus ²¹Ne, based on the ¹⁶O + n + α molecular configurations, have been populated in the incomplete-fusion reaction ¹⁶ ₈O(⁷₃Li, np)²¹₁₀Ne at 29.4 MeV. The observation of both intra- and inter-band transitions leads to a re-interpretation of some levels in the K^π = ^- and K^π = ^- bands. The implications of this re-ordering on the octupole doublet bands are examined. The data allow a more accurate determination of some previously uncertain level energies. The “missing” I^π = ^- level is also discussed.     

Physisorption and dissociative chemisorption of H2 on sub-nanosized Al$_{13}^{-}$ anion cluster: ab initio study

We have studied the interaction of Al₁₃^-_{13}^{-} anion cluster with H₂. Both the long range interaction and dissociative adsorption have been examined using the established correlated ab initio methods, MP2 and CCSD(T), in conjunction with the augmented correlation consistent basis sets up to aug-cc-pVTZ. The formation of the weakly bound (physisorbed) end-on anion complex Al₁₃^-_{13}^{-}...H₂ is predicted for the interacting Al...H distances of 3.95 ? with the H-H axis pointing towards the ‘hollow’ site of Al₁₃^-_{13}^{-} and binding energy (D_e)D_{e}) of 0.7 kcal/mol at the estimated complete basis set (CBS) limit of CCSD(T). The barrier height for H₂ dissociation on Al₁₃^-_{13}^{-} of 41.6 (42.9) kcal/mol calculated at the ZPVE-corrected CCSD(T)/aug-cc-pVTZ (estimated CCSD(T)/CBS) level is at least twice as large as that evaluated by us for a dissociative adsorption of H₂ on an open-shell Al₁₃ neutral cluster. To our knowledge, this report presents the first “benchmark” quality study of the physisorption and dissociative chemisorption of molecular hydrogen on Al₁₃^-_{13}^{-} anion cluster.     

Measurement of the LT-asymmetry in πelectroproduction at the energy of the Δ(1232)-resonance

The reaction p(e, e'p)π⁰ has been studied at Q² = 0.2 (GeV/c)² in the region of W = 1232MeV. From measurements left and right of , cross-section asymmetries ρ_LT have been obtained in forward kinematics ρ_LT( = 20^°) = (- 11.68±2.36_stat±2.36_sys) and backward kinematics ρ_LT( = 160^°) = (12.18±0.27_stat±0.82_sys) π⁰. Multipole ratios {S₁₊ ^* M₁₊}/| M₁₊|² and {S₀₊ ^* M₁₊}/| M₁₊|² were determined in the framework of the MAID2003 model. The results are in agreement with older data. The unusally strong negative {S₀₊ ^* M₁₊}/| M₁₊|² required to bring also the result of Kalleicher et al. in accordance with the rest of the data is almost excluded.     

Potential energy surface of the Rydberg states of the NO molecule in an intense IR radiation field

A method taking into account valence (non-Rydberg) and dissociative configurations has been developed for calculation of potential energy surfaces of the NO molecule in an intense IR radiation field. The resonance rovibronic structure of the Rydberg molecule–laser field quantum system has been analyzed within the steady-state formalism of the radiation collision matrix using multi-channel quantum defect theory. Special conditions for field control of predissociation involving intermediate Rydberg and valence states have been formulated.     

Θ+-Pentaquark parity from associative baryon production in πd collisions, π ± + d → Θ+ + Σ±

We derive, in model-independent way, the spin structure of the matrix element for the reaction of associative Θ⁺-pentaquark production, π ^± + d → Θ⁺ + Σ^±, in the threshold region and in collinear kinematics. The expressions for the polarization observables in this reaction are found assuming spin 1/2 and different parities for Θ⁺. We have proved that such a reaction can be used for a model-independent determination of the P parity of Θ⁺ only by measuring the Θ⁺ polarization. Other polarization observables, such as the dependence of the Σ^± polarization on the vector and tensor deuteron polarizations, are insensitive to the Θ⁺ parity under the considered kinematical conditions. The linear and quadratic relations between polarization observables in (Θ⁺ is unpolarized) do not depend on the parity of the Θ⁺ pentaquark. The analysis performed for this reaction is also applicable without any modification to the reaction K ⁺ + d → Θ⁺ + p. Using the pole model for the reaction mechanism, we estimated the value of the cross section for the reaction K ⁺ + d → Θ⁺ + p near the threshold. The text was submitted by the authors in English.     

Using the e ± μ? + E Tmiss signature in the search for supersymmetry and lepton-flavor violation in neutralino decays

The LHC (CMS) discovery potential in the search for supersymmetry and lepton-flavor violation in neutralino decays using the e ^± μ^∓ + E _T ^miss signature is studied. A detailed study is done for the CMS test points LM1-LM9. It is shown that, for the point LM1, it is possible to detect lepton-flavor violation in neutralino decays with lepton-flavor-violating branching Br( → μ^± e ^∓ ) ≥ 0.04 Br( → e ⁺ e ⁻ , μ⁺ μ⁻ ) for an integral luminosity of 10 fb⁻¹. The discovery potential in the mSUGRA-SUSY scenario with tan β = 10, sgn(μ) = + in the (m ₀, m _1/2) plane using the e ^± μ^∓ + E _T ^miss signature is determined. The text was submitted by the authors in English.