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Positron Interactions With Molecules
No full textIn this work, we report elastic integral cross sections for low energy positron scattering by carbon monoxide and model calculations for vibrationally enhanced positron annhilation on molecules. The former studies employed the Schwinger Multichannel method in the static plus polarization approximation with two different basis sets to access numerical convergence. In the annihilation studies, the role of multimode vibrational couplings was surveyed with the help of an analytically solvable model based on the Feshbach projection operator formalism.388PART 1Surko, C.M., Gribakin, G.F., Buckman, S.J., (2005) J. Phys. B: At. Mol. Phys., 38, p. 567. , 0953-4075Schultz, P.J., Lynn, K.G., (1998) Rev. Mod. Phys., 60 (3), p. 701. , 10.1103/RevModPhys.60.701 0034-6861Wahl, R.L., Buchanan, J.W., (2002) Principles and Practice of Positron Emission Tomography, , (Philadelphia, PA, Lippincott Williams and Wilkins)Amoretti, M., (2002) Nature, 419 (6906), p. 456. , 10.1038/nature01096 0028-0836Gabrielse, G., (2008) Phys. Rev. Lett., 100 (11), p. 113001. , 10.1103/PhysRevLett.100.113001 0031-9007Andresen, G.B., (2010) Nature, 468 (7324), p. 673. , 10.1038/nature09610 0028-0836Cassidy, D.B., Mills, A.P., (2007) Nature, 449 (7159), p. 195. , 10.1038/nature06094 0028-0836Surko, C.M., (2007) Nature, 449 (7159), p. 153. , 10.1038/449153a 0028-0836Hamada, A., Sueoka, O., (1994) J. Phys. B: At. Mol. Opt. Phys., 27 (20), p. 5055. , 10.1088/0953-4075/27/20/019 0953-4075Sullivan, J.P., (2011) J. Phys. B: At. Mol. Phys., 44 (3), p. 035201. , 0953-4075 035201Przybyla, D.A., Addo-Asah, W., Kauppila, W.E., Kwan, C.K., Stein, T.S., (1999) Phys. Rev., 60 (1), p. 359. , 10.1103/PhysRevA.60.359 1050-2947 ASanchez, S.D., Arretche, F., Lima, M.A.P., (2008) Phys. Rev., 77 (5), p. 054703. , 10.1103/PhysRevA.77.054703 1050-2947 AZecca, A., Chiari, L., Sarkar, A., Lima, M.A.P., Bettega, M.H.F., Nixon, K.L., Brunger, M.J., (2008) Phys. Rev., 78 (4), p. 042707. , 10.1103/PhysRevA.78.042707 1050-2947 ASanchez, S.A., Lima, M.A.P., (2008) Nucl. Instrum. Meth. Phys. Res., 266 (3), p. 447. , 10.1016/j.nimb.2007.12.022 0168-583X BArretche, F., Mazon, K., Michelin, S., Fujimoto, M., Iga, I., Lee, M.-T., (2008) Nucl. Instrum. Meth., 266 (3), p. 441. , 10.1016/j.nimb.2007.12.021 0168-583X BGribakin, G.F., Young, J.A., Surko, C.M., (2010) Rev. Mod. Phys., 82 (3), p. 2557. , 10.1103/RevModPhys.82.2557 0034-6861Nishimura, T., Gianturco, F.A., (2005) Phys. Rev., 72 (2), p. 022706. , 10.1103/PhysRevA.72.022706 1050-2947 ASanchez, S.A., Lima, M.A.P., Varella, M.T.D.N., (2009) Phys. Rev., 80 (5), p. 052710. , 10.1103/PhysRevA.80.052710 1050-2947 AGribakin, G.F., Lee, C.M.R., (2006) Phys. Rev. Lett., 97 (19), p. 193201. , 10.1103/PhysRevLett.97.193201 0031-9007Varella, M.T.D.N., Lima, M.A.P., (2007) Phys. Rev., 76 (5), p. 052701. , 10.1103/PhysRevA.76.052701 1050-2947 AVarella, M.T.D.N., (2008) Nucl. Instrum. Meth., 266 (3), p. 435. , 10.1016/j.nimb.2007.12.020 0168-583X BSanchez, S.A., Lima, M.A.P., Varella, M.T.D.N., (2011) Phys. Rev. Lett., 107 (10), p. 103201. , 10.1103/PhysRevLett.107.103201 0031-9007O'Malley, T.F., (1966) Phys. Rev., 150 (1), p. 14. , 10.1103/PhysRev.150.14 0031-899XDubé, L., Herzenberg, A., (1979) Phys. Rev., 20 (1), p. 194. , 10.1103/PhysRevA.20.194 0556-2791 AHazi, A.U., (1981) Phys. Rev., 23 (3), p. 1089. , 10.1103/PhysRevA.23.1089 0556-2791 ADomcke, W., (1991) Phys. Rep., 208 (2), p. 97. , 10.1016/0370-1573(91)90125-6 0370-1573Germano, J.S.E., Lima, M.A.P., (1993) Phys Rev., 47 (5), p. 3976. , 10.1103/PhysRevA.47.3976 1050-2947 ASzabo, A., Ostlund, N.S., (1989) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, , (Dover Publication Inc., New York)Colemann, P.G., Griffith, T.C., Heyland, G.R., (1974) Appl. Phys., 4 (1), p. 89. , 10.1007/BF00884160 0340-3793Gianturco, F.A., Mukherjee, T., Paioletti, P., (1997) Phys. Rev., 56 (5), p. 3638. , 10.1103/PhysRevA.56.3638 1050-2947 AKwan Ch, K., (1983) Phys. Rev., 27 (3), p. 1328. , 10.1103/PhysRevA.27.1328 0556-2791 ASueoka, O., Hamada, A., (1993) J. Phys. Soc. Japan., 62 (8), p. 2669. , 10.1143/JPSJ.62.2669 0031-9015Young, J.A., (2008) Phys. Rev., 77, pp. 060702R. , AYoung, J.A., Surko, C.M., (2008) Phys. Rev., 78 (3), p. 032702. , 10.1103/PhysRevA.78.032702 1050-2947
Positron Impact Electronic Excitation Of N2
No full textWe present the results of scattering cross sections for positron impact excitation of electronic states of nitrogen molecule (N2) using the Schwinger multichannel method (SMC). All calculated cross sections took three collision channels into account (X1Σg and degenerate a1Πg states). Present theoretical results for excitation to the a1Πg states failed to reproduce the near-threshold structure observed in the recent and the only available experimental data [Sullivan et al., Phys. Rev. Lett. 87 (2001) 073201-1]. Scattering calculations from the a1Πg states (elastic and superelastic) are also reported. A spurious resonant structure found in the excitation to the a1Πg states was detected in a square integrable basis set calculation designed to reproduce the first Born approximation (FBA). Such spurious structure was removed by taking out the trial configuration state functions in which the positron was weakly coupled to the target. This may be a promising technique to separate unphysical resonances from the physical ones. We also observe that a combination between SMC scattering amplitudes (l≤2) with FBA ones (l≥3) significantly improved the cross sections at higher energies. © 2004 Elsevier B.V. All rights reserved.2211-46975Gilbert, S.J., Sullivan, J.P., Greaves, R., Surko, C.M., (2000) Nucl. Instr. and Meth. B, 171, p. 81Sullivan, J.P., Marler, J.P., Gilbert, S.J., Buckman, S.J., Surko, C.M., (2001) Phys. Rev. Lett., 87, pp. 073201-073211Sullivan, J.P., Gilbert, S.J., Surko, C.M., (2001) Phys. Rev. Lett., 86, p. 1494Surko, C.M., (2001) New Directions in Antimatter Chemistry and Physics, p. 345. , Kluwar Academic PublishersMurphy, T.J., Surko, C.M., (1992) Phys. Rev. A, 46, p. 5695Greaves, R.G., Tinkle, M.D., Surko, C.M., (1994) Phys. Plasmas, 1, p. 1439Germano, J.S.E., Lima, M.A.P., (1993) Phys. Rev. A, 47, p. 3976Da Silva, E.P., Germano, J.S.E., Lima, M.A.P., (1994) Phys. Rev. A, 49, pp. R1527Da Silva, E.P., Germano, J.S.E., Lima, M.A.P., (1996) Phys. Rev. Lett., 77, p. 1028Da Silva, E.P., Germano, J.S.E., Lino, J.L.S., De Carvalho, C.R.C., Natalense, A.P.P., Lima, M.A.P., (1998) Nucl. Instr. and Meth. B, 143, p. 140De Carvalho, C.R.C., Varella, M.T.D.N., Da Silva, E.P., Germano, J.S.E., Lima, M.A.P., (2000) Nucl. Instr. and Meth. B, 171, p. 33Hunt, W.J., Goddard III, W.A., (1974) Chem. Phys. Lett., 24, p. 464Sullivan, J.P., Gilbert, S.J., Buckman, S.J., Surko, C.M., (2001) J. Phys. B, 34, pp. L467Bromley, M.W.J., Mitroy, J., (2003) Phys. Rev. A, 67, p. 062709Rescigno, T.N., (2003), private communicationSzabo, A., Ostlund, N.S., (1989) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, , New York: McGraw-Hil
Electron Collisions With α-d -glucose And Β-d -glucose Monomers
Get PDFThe development of new alternative routes for production of second generation ethanol from sugarcane biomass poses a challenge to the scientific community. Current research in this field addresses the use of a plasma-based pretreatment of the lignocellulosic raw material. With the aim to provide a theoretical background for this experimental technique we investigate the role of low-energy electrons from the plasma in the rupture of the matrix of cellulosic chains. In this paper, we report calculated cross sections for elastic scattering of low-energy electrons by the α - and Β-D -glucose monomers. The calculations employed the Schwinger multichannel method with pseudopotentials and were carried out at the static-exchange and static-exchange plus polarization levels of approximation. Through the comparison of the results obtained with inclusion of polarization effects we discuss the influence of the different conformations of the hydroxyl group linked to the anomeric carbon on the resonance spectra of these molecules. Resonant structures appearing at different energies for α - and Β -glucose at the low-energy regime of impact energies can be understood as a fingerprint of an "isomeric effect" and suggest that distinct fragmentation mechanisms proceeding via σ* shape resonances may become operative depending on the glucose anomer under consideration. For energies above 15 eV the integral elastic cross sections are very similar for both monomers. Differential cross sections for the glucopyranose anomers considered in this work are typically dominated by a strong forward scattering due to the molecules' large electric dipole moments and, for energies close to the resonances' positions, they display particular features at the intermediate angular region, notably a pronounced f -wave scattering pattern, that are probably associated with the presence of those structures. © 2010 American Institute of Physics.13212Leite, R.C.D., Leal, M.R.L.V., Cortez, L.A.B., Griffin, W.M., Scandiffio, M.I.G., (2009) Energy, 34, p. 655. , ENEYDS 0360-5442,. 10.1016/j.energy.2008.11.001Amorim, J., Corr̂a, J.A.S., Oliveira, C.A., (2008), Patent No. 018080043419 (10 July)Oliveira, C., Souza Corr̂a, J.A., Gomes, M.P., Sismanoglu, B.N., Amorim, J., (2008) Appl. Phys. Lett., 93, p. 041503. , APPLAB 0003-6951,. 10.1063/1.2967016Garscadden, A., (1992) Z. Phys. D: At., Mol. 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Electron Collisions With The Hcooh(h2o)n Complexes (n = 1, 2) In Liquid Phase: The Influence Of Microsolvation On The π Resonance Of Formic Acid
Get PDFWe report momentum transfer cross sections for elastic collisions of low-energy electrons with the HCOOH(H2O)n complexes, with n 1, 2, in liquid phase. The scattering cross sections were computed using the Schwinger multichannel method with pseudopotentials in the static-exchange and static-exchange plus polarization approximations, for energies ranging from 0.5 eV to 6 eV. We considered ten different structures of HCOOHH2O and six structures of HCOOH(H2O)2 which were generated using classical Monte Carlo simulations of formic acid in aqueous solution at normal conditions of temperature and pressure. The aim of this work is to investigate the influence of microsolvation on the π shape resonance of formic acid. Previous theoretical and experimental studies reported a π shape resonance for HCOOH at around 1.9 eV. This resonance can be either more stable or less stable in comparison to the isolated molecule depending on the complex structure and the water role played in the hydrogen bond interaction. This behavior is explained in terms of (i) the polarization of the formic acid molecule due to the water molecules and (ii) the net charge of the solute. The proton donor or acceptor character of the water molecules in the hydrogen bond is important for understanding the stabilization versus destabilization of the π resonances in the complexes. Our results indicate that the surrounding water molecules may affect the lifetime of the π resonance and hence the processes driven by this anion state, such as the dissociative electron attachment. © 2013 AIP Publishing LLC.13817Boudaïffa, B., Cloutier, P., Hunting, D., Huels, M.A., Sanche, L., (2000) Science, 287, p. 1658. , 10.1126/science.287.5458.1658Hanel, G., Gstir, B., Denifl, S., Scheier, P., Probst, M., Farizon, B., Farizon, M., Märk, T.D., (2003) Phys. Rev. Lett., 90, p. 188104. , See, for example,10.1103/PhysRevLett.90.188104Denifl, S., Ptasinska, S., Cingel, M., Matejcik, S., Scheier, P., Märk, T.D., (2003) Chem. Phys. Lett., 377, p. 74. , 10.1016/S0009-2614(03)01096-0Abdoul-Carime, H., Gohlke, S., Illenberger, E., (2004) Phys. Rev. Lett., 92, p. 168103. , 10.1103/PhysRevLett.92.168103Winstead, C., McKoy, V., (2006) J. Chem. Phys., 125, p. 074302. , See, for instance,10.1063/1.2263824Winstead, C., McKoy, V., (2006) J. Chem. Phys., 125, p. 244302. , 10.1063/1.2424456Winstead, C., McKoy, V., Sanchez, S.D.A., (2007) J. Chem. Phys., 127, p. 085105. , 10.1063/1.2757617Gorfinkel, J.D., Caron, L.G., Sanche, L., (2006) J. Phys. B: At. Mol. Opt. Phys., 39, p. 975. , 10.1088/0953-4075/39/4/021De Oliveira, E.M., Lima, M.A.P., Bettega, M.H.F., Sanchez, S.D.A., Da Costa, R.F., Varella, M.T.D.N., (2010) J. Chem. Phys., 132, p. 204301. , references therein. 10.1063/1.3428620Martin, F., Burrow, P.D., Cai, Z., Cloutier, P., Hunting, D., Sanche, L., (2004) Phys. Rev. Lett., 93, p. 068101. , 10.1103/PhysRevLett.93.068101Scheer, A.M., Aflatooni, K., Gallup, G.A., Burrow, P.D., (2004) Phys. Rev. Lett., 92, p. 068102. , 10.1103/PhysRevLett.92.068102Sanche, L., (2005) Eur. Phys. J. D, 35, p. 367. , 10.1140/epjd/e2005-00206-6Gianturco, F.A., Luchese, R.R., Langer, J., Martin, I., Stano, M., Karwasz, G., Illenberg, E., (2005) Eur. Phys. J. 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Progress With The Schwinger Multichannel Method In Positron-molecule Scattering
No full textWe report calculations for low-energy positron-C2H2 and -N2 scattering obtained through the Schwinger multichannel method (SMC). Integral and differential cross-sections and the annihilation parameter, Zeff, are presented. For nitrogen, evidence of a Ramsauer-Townsend minimum and the possibility of overcorrelation in the scattering configuration space are discussed. Annihilation probability densities (APD) calculated for He and H2 seem to bring indirect support to a model previously proposed to explain why acetylene, unlike nitrogen, presents very high low-energy annihilation rates.17113346Brandt, W., Dupasquier, A., (1983) International School of Physics Enrico Fermi, Positron Solid-State Physics, , (Eds.), Società Italiana di FisicaPuska, M.J., Nieminen, R.M., (1994) Rev. Mod. Phys., 66, p. 841Krause-Rehberg, R., Leipner, H.S., Abgarjan, T., Polity, A., (1998) Appl. Phys. a, 66, p. 599Murphy, T.J., Surko, C.M., (1991) Phys. Rev. Lett., 67, p. 2954Iwata, K., Greaves, R.G., Murphy, T.J., Tinkle, M.D., Surko, C.M., (1995) Phys. Rev. a, 51, p. 473Germano, J.S.E., Lima, M.A.P., (1993) Phys. Rev. a, 47, p. 3976Da Silva, E.P., Germano, J.S.E., Lima, M.A.P., (1994) Phys. Rev. a, 49, p. 1527Lino, J.L.S., Germano, J.S.E., Da Silva, E.P., Lima, M.A.P., (1998) Phys. Rev. a, 58, p. 3502De Carvalho, C.R.C., Varella, M.T.D.N., Lima, M.A.P., Da Silva, E.P., Germano, J.S.E., (1999) Phys. Rev. Lett., , submitted for publicationIwata, K., Greaves, R.G., Surko, C.M., (1997) Phys. Rev. a, 55, p. 3586Da Silva, E.P., Germano, J.S.E., Lima, M.A.P., (1996) Phys. Rev. Lett., 77, p. 1028Fraser, P.A., (1968) Adv. At. Mol. Phys., 4, p. 63Van Reeth, P., Humberston, J.W., (1998) J. Phys. B, 31, p. 231Przybyla, D.A., Addo-Asah, W., Kauppila, W.E., Kwan, C.K., Stein, T.S., (1999) Phys. Rev. a, 60, p. 359Sueoka, O., Mori, S., (1989) J. Phys. B, 22, p. 963Danby, G., Tennyson, J., (1991) J. Phys. B, 24, p. 3517Charlton, M., Griffith, T.C., Heyland, G.R., Wright, G.L., (1983) J. Phys. B., 16, p. 323Hoffman, K.R., Dababneh, M.S., Hsieh, Y.-F., Kauppila, W.E., Pol, V., Smart, J.H., Stein, T.S., (1982) Phys. Rev. a, 25, p. 1393Sueoka, O., Hamada, A., (1993) J. Phys. Soc. Jpn., 62, p. 2669Coleman, P.G., Griffith, T.C., (1973) J. Phys. B, 6, p. 2155Heyland, G.R., Charlton, M., Griffith, T.C., Wright, G.L., (1982) Can. J. Phys., 60, p. 503Sharma, S.C., McNutt, J.D., (1978) Phys. Rev. a, 18, p. 1426Tao, S.J., (1970) Phys. Rev. a, 2, p. 1669Schneider, B., Collins, L.A., (1984) Phys. Rev. a, 30, p. 95Winstead, C., McKoy, V., (1998) Phys. Rev. a, 57, p. 3589Joachain, C.J., (1975) Quantum Collision Theory, p. 258. , North-Holland, Amsterda
Going Beyond Counting First Authors in Author Co-citation Analysis
Get PDFThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Get PDF“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Get PDFWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Dispelling the Myths Behind First-author Citation Counts
Get PDFWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
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