Positronium impact excitation of hydrogen molecule to B-1 Sigma(+)(u) and b(3)Sigma(+)(u) states

Calculation for the electronic excitation of the ground state of H-2 to B (1) Sigma(u)(+) and b(3) Sigma(u)(+) states by positronium- (Ps) atom impact has been carried out using the first Born approximation considering discrete Ps excitations up to n = 6 and Ps ionization in the final state. To include the effect of electron exchange, we propose an alternative approximation scheme in the light of the Rudge approach, which takes into account the composite nature of the Ps-atom projectile.

Effect of electron correlation on positronium formation in positron-helium scattering

A three-parameter correlated wave function for the helium ground state is used to study the scattering reaction e(+) + He --> He+ + Ps, where Ps stands for positronium atom. An exact analytical expression is constructed for the first Born scattering amplitude for Ps formation from helium. Based on this numerical results are presented for both differential and total cross-sections. It is demonstrated that the inner electronic correlation of the target atom plays a crucial role in explaining the discrepency between theory and experiment.

The effect of core electrons in e(+)-Na scattering

The scattering of positrons off sodium targets has been investigated using the coupled static model. The sodium atom is represented by the one-active-electron model in which all the electrons of the target have been considered explicitly and the loosely bound valence electron is only involved in transitions. The scattering parameters are presented at low and medium energies. Appreciable differences are noticed between the present results and those obtained by the one-electron model with and without the core potential.

Electron exchange model potential: Application to positronium helium scattering

The formulation of a suitable nonlocal model potential for electron exchange is presented, checked with electron-hydrogen and electron-helium scattering, and applied to the study of elastic and inelastic scattering and ionization of orthopositronium (Ps) by helium. The elastic scattering and the n=2 excitations of Ps are investigated using a three-Ps-state close-coupling approximation. The higher (n greater than or equal to 3) excitations and ionization of Ps atoms are treated in the framework of the Born approximation with present exchange. Calculations are reported of phase shifts and elastic, Ps excitation, and total cross sections. The present target elastic total cross section agrees well with experimental results at thermal to medium energies. [S1050-2947(99)04201-8].

Close-coupling calculations of elastic and inelastic positron-helium scattering

Elastic and inelastic positron-helium scattering have been investigated in different partial waves at medium energies using the close-coupling approximation with realistic wavefunctions employing the following states: He(1s1s), He(1s2s), He(1s2p), He(1s3s), He(1s3p), Ps(1s), Ps(2s) and Ps(2p). All excitations of the helium atom are in the spin-singlet electronic state. Calculations are reported of cross sections to He(1s1s), He(1s2s), and He(1s2p) transitions for incident positron energies up to 200 eV. These cross sections are in good agreement with experimental results.

LARGE ATOMIC and NUCLEAR THREE-BODY SYSTEMS: SCATTERING and BINDING

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Neutron-C-19 scattering near an Efimov state

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Positron-helium scattering at medium energies

We present results for medium-energy elastic, inelastic [transition to He(1s2(1)s), He(1s2(1)p), He(1s3(1)s), and He(1s3(1)p) states], capture [to Ps(1s), Ps(2s), and Ps(2p) states of the positronium (Ps) atom] and total cross sections of positron-helium scattering in the close coupling approach using realistic wave functions.

Resonance in positron-helium scattering at medium energy

A narrow S-wave resonance has been found in the positron-helium system at about 30 eV, using the close-coupling approach, in excitation and rearrangement cross sections to He(1s2s), He(1s2p), Ps(1s) and Ps(2s) states by employing different combinations of the following basis functions: He(1s1s), He(1s2s), He(1s2p), Ps(1s) and Ps(2s), where Ps stands for the positronium atom.

Positronium-alkali-ion scattering in the close-coupling approximation

We present results for low- and medium-energy elastic and capture cross sections for positronium-atom-alkali-ion scattering using the coupled static close-coupling approximation.

3D hydrogen-bonded network built from copper(II) complexes of 1,3-propanediamine

The reaction of Cu(NO3)(2).3H(2)O with 1,3-propanediamine (pn), in the presence of NaN3, afforded a 1:1 co-crystal formed by [Cu(NO3)(2)(pn)(2)] and [Cu(N-3)(NO3)(pn)(2)] (1 and 2), which were characterized by elemental analysis, IR spectroscopy and single crystal X-ray diffraction. In both compounds, the copper(II) centers are in a distorted octahedral environment, formed by four N atoms of two bidentate pn ligands in the basal plane, whereas the axial bonds are formed by two O atoms from the nitrate ligands in 1 and one O atom from the nitrate ligand and one N atom from the azide ion in 2. The asymmetric unit of the crystal consists of two crystallographically independent 1 and 2 complexes, which are held together in a 3D network by a series of N - H center dot center dot center dot O and N - H center dot center dot center dot N hydrogen bonds, as well C - H center dot center dot center dot O interactions. New supramolecular synthons are identified by the occurrence of two geometrically distinct molecular recognition patterns involving the NO3- ion and amino groups from pn ligands.

Ps-H scattering using the three-state positronium close-coupling approximation

Positronium scattering off a hydrogen target has been studied employing a three-state positronium model close-coupling approximation (CCA) with and without electron exchange. Elastic, excitation and quenching cross sections are reported at low and medium energies. The effect of electron exchange is found to be significant at low energies. The ratio of quenching to the total cross section (the conversion ratio) approaches the value of 0.25 with increase of energy, as expected.

Differential cross sections for target excitation and positronium formation in positron-helium scattering

Positronium formation and target excitation in positron-helium scattering have been investigated using the close-coupling approximation with realistic wave functions for the positronium and helium atoms. The following eight states have been used in the close-coupling scheme: He(1s1s), He(1s2(1)s), He(1s2(1)p), He(1s3(1)s), He(1s3(1)p), Ps(1s), Ps(2s), and Ps(2p), where Ps stands for the positronium atom. Calculations are reported of differential cross sections for elastic scatering,, inelastic target excitation to He(1s2(1)s) and He(1s2(1)p) slates, and rearrangement transition to Ps(1s), Ps(2s), and Ps(2p) states for incident positron energies between 40 and 200 eV. The coincidence parameters for the transition to the He(1s2(1)p) state of helium are also reported and briefly discussed. [S1050-2947(98)05101-4].

THE EFFECT OF POSITRONIUM FORMATION IN E(+)-LI AND E(+)-NA SCATTERING

We studied e+-Li and e+-Na scattering using the close-coupling approximation in the static and coupled static expansion schemes. The effect of the positronium formation on the elastic channel is found to be strong in both cases. In the case of the lithium atom the effect is dramatic; the inclusion of the positronium formation channel transforms the purely repulsive effective e+-Li S wave (static) potential to a predominantly attractive (coupled static) potential. In this case, in the static model delta(0)-delta(infinity) = 0, whereas in the coupled static model delta(0)-delta(infinity)=pi. According to Levinson's theorem this suggests the presence of a S wave bound or continuum bound state in the e+-Li system.

Small angle X-ray scattering and IR spectroscopy study of metal carbonyl complexes immobilized on a silica gel surface chemically modified with piperazine

The carbonyl complexes [WCl(CO)(3)(bipy) (HgCl)] (1), [Fe(CO)(4)(HgCl)(2)] (2) and W(CO)(6)] (3) were immobilized on a silica gel surface organofunctionalized with piperazine groups. The products obtained were studied by IR spectroscopy and small angle X-ray scattering (SAXS) techniques. The IR data show that the immobilization of heterobimetallic compounds 1 and 2, on the functionalized surface, occurred through the mercury atom, while for 3 the displacement of one CO group by the nitrogen of a piperazine molecule was observed. The data obtained from SAXS indicate that particles have a uniform size and reveal suitable modifications on the functionalized surface after immobilization of metal carbonyl complexes. The average intermolecular distance (l(ij)) for piperazine ligands on support is 8.7 Angstrom, for the metal carbonyl complex 1 it is 18.8 Angstrom, for complex 2 it is 16.2 Angstrom and for complex 3 it is 15.3 Angstrom. Copyright (C) 1996 Elsevier B.V. Ltd