Electron- and positron-molecule scattering: development of the molecular convergent close-coupling method

被引:72
作者
Zammit, Mark C. [1 ,2 ,3 ]
Fursa, Dmitry V. [2 ,3 ]
Savage, Jeremy S. [2 ,3 ]
Bray, Igor [2 ,3 ]
机构
[1] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA
[2] Curtin Univ, Curtin Inst Computat, Perth, WA 6102, Australia
[3] Curtin Univ, Dept Phys Astron & Med Radiat Sci, Perth, WA 6102, Australia
关键词
electron scattering; positron scattering; excitation; ionisation; molecular hydrogen; DIFFERENTIAL CROSS-SECTIONS; LOW-ENERGY-ELECTRON; SET SCF MOS; J-MATRIX METHOD; HYDROGEN MOLECULE; IMPACT IONIZATION; VIBRATIONAL-EXCITATION; H2+ IONS; DISSOCIATIVE-RECOMBINATION; (1,3)DELTA(G) STATES;
D O I
10.1088/1361-6455/aa6e74
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Starting from first principles, this tutorial describes the development of the adiabatic-nuclei convergent close-coupling (CCC) method and its application to electron and (single-centre) positron scattering from diatomic molecules. We give full details of the single-centre expansion CCC method, namely the formulation of the molecular target structure; solving the momentum-space coupled-channel Lippmann-Schwinger equation; deriving adiabatic-nuclei cross sections and calculating V-matrix elements. Selected results are presented for electron and positron scattering from molecular hydrogen H-2 and electron scattering from the vibrationally excited molecular hydrogen ion H-2(+) and its isotopologues (D-2(+), T-2(+), HD+, HT+ and TD+). Convergence in both the close-coupling (target state) and projectile partial-wave expansions of fixed-nuclei electron-and positron-molecule scattering calculations is demonstrated over a broad energyrange and discussed in detail. In general, the CCC results are in good agreement with experiments.
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页数:35
相关论文
共 162 条
[1]   Dissociative-recombination and excitation measurements with H-2(+) and HD+ [J].
Andersen, LH ;
Johnson, PJ ;
Kella, D ;
Pedersen, HB ;
VejbyChristensen, L .
PHYSICAL REVIEW A, 1997, 55 (04) :2799-2808
[2]   Electronic excitation of H2 by positron impact [J].
Arretche, F. ;
Lima, M. A. P. .
PHYSICAL REVIEW A, 2006, 74 (04)
[3]   Electron-induced damage of DNA and its components: Experiments and theoretical models [J].
Baccarelli, Isabella ;
Bald, Ilko ;
Gianturco, Franco A. ;
Illenberger, Eugen ;
Kopyra, Janina .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2011, 508 (1-2) :1-44
[4]   Electron impact dissociation and ionization of N+2 [J].
Bahati, EM ;
Jureta, JJ ;
Belic, DS ;
Cherkani-Hassani, H ;
Abdellahi, MO ;
Defrance, P .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2001, 34 (15) :2963-2973
[5]  
Berger M. J., 1995, ATOMIC MOL DATA RADI
[6]   CALCULATION OF TRANSITION FREQUENCIES FOR H2+ AND ITS ISOTOPES TO SPECTROSCOPIC ACCURACY [J].
BISHOP, DM ;
CHEUNG, LM .
PHYSICAL REVIEW A, 1977, 16 (02) :640-645
[7]   Positron-hydrogen molecule scattering considering the positronium-formation channel [J].
Biswas, PK ;
Germano, JSE ;
Frederico, T .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2002, 35 (18) :L409-L418
[8]   Photon and high-energy-electron-impact vibronic excitation of molecular hydrogen [J].
Borges, I ;
Bielschowsky, CE .
PHYSICAL REVIEW A, 1999, 60 (02) :1226-1234
[9]   The fully relativistic implementation of the convergent close-coupling method [J].
Bostock, Christopher James .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2011, 44 (08)
[10]  
Boudaïffa B, 2000, SCIENCE, V287, P1658, DOI 10.1126/science.287.5458.1658