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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 31, 1976 - Issue 3
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Original Articles

Configuration interaction calculations of the Auger spectrum of CH4, HF, H2O and CO

I.H. Hillier Department of Chemistry, University of Manchester, Manchester, M13 9PL
&
J. Kendrick Department of Chemistry, University of Manchester, Manchester, M13 9PL
Pages 849-853 | Received 01 Sep 1975, Published online: 23 Aug 2006

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DavidE. Ramaker. (1991) The past, present, and future of auger line shape analysis. Critical Reviews in Solid State and Materials Sciences 17:3, pages 211-276.
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Maurizio Sironi, DavidL. Cooper, Joseph Gerratt & Mario Raimondi. (1988) Spin-coupled VB study of the di-cations of methane, ammonia and water. Molecular Physics 65:1, pages 251-259.
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G.L. Gutsev. (1986) A comparison of results of calculations by various methods on the KVV Auger spectra of the CO molecule. Molecular Physics 57:1, pages 161-174.
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Articles from other publishers (56)

Gilbert Grell, Oliver Kühn & Sergey I. Bokarev. (2019) Multireference quantum chemistry protocol for simulating autoionization spectra: Test of ionization continuum models for the neon atom. Physical Review A 100:4.
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Rajat K. Chaudhuri & Sudip Chattopadhyay. (2019) Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinors. The Journal of Chemical Physics 151:7.
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Irène Nenner & Paul Morin. 1996. VUV and Soft X-Ray Photoionization. VUV and Soft X-Ray Photoionization 291 354 .
K. Zähringer, H.-D. Meyer, L.S. Cederbaum, F. Tarantelli & A. Sgamellotti. (1993) All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings. Chemical Physics Letters 206:1-4, pages 247-252.
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K. Zähringer, H.-D. Meyer & L. S. Cederbaum. (1992) Angularly resolved Auger rates of LiF and HF. Physical Review A 46:9, pages 5643-5652.
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W. J. Griffiths, S. Svensson, A. Naves de Brito, N. Correia, M. L. Langford & F. M. Harris. (2005) Doubly ionized states of CH 4 studied by double‐charge‐transfer and auger‐electron spectroscopies . Rapid Communications in Mass Spectrometry 6:7, pages 438-448.
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Hhans Ågren, Amary Cesar & Christoph-Maria Liegener. 1992. 1 82 .
L. S. Cederbaum, P. Campos, F. Tarantelli & A. Sgamellotti. (1991) Band shape and vibrational structure in Auger spectra: Theory and application to carbon monoxide. The Journal of Chemical Physics 95:9, pages 6634-6644.
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Richard L. Graham & Danny L. Yeager. (1991) The multiconfigurational particle–particle propagator method for directly determining vertical double ionization potentials and double electron affinities. The Journal of Chemical Physics 94:4, pages 2884-2893.
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T. X. Carroll & T. D. Thomas. (1991) Deexcitation electron spectroscopy of core-excited CO2: Comparison of experiment with theory. The Journal of Chemical Physics 94:1, pages 11-15.
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C.-M. Liegener & E. Weiss. (1990) Calculations on the Auger spectra of clusters modeling polymer chains. Physical Review B 41:17, pages 11946-11953.
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K Codling, L J Frasinski, P A Hatherly & M Stankiewicz. (1990) New triple coincidence techniques applied to multiple ionisation of molecules. Physica Scripta 41:4, pages 433-439.
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P. Lablanquie, J. Delwiche, M.-J. Hubin-Franskin, I. Nenner, P. Morin, K. Ito, J. H. D. Eland, J.-M. Robbe, G. Gandara, J. Fournier & P. G. Fournier. (1989) Experimental and theoretical investigation of the spectroscopy and dynamics of multiply charged CO cations. Physical Review A 40:10, pages 5673-5689.
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V.R. Marathe & D. Mathur. (1989) Potential energy curves of low-lying electronics states of CO2+. Chemical Physics Letters 163:2-3, pages 189-192.
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P.A. Hatherly, M. Stankiewicz, L.J. Frasinski, K. Codling & M.A. MacDonald. (1989) Double photoionisation of methane studied by the triple coincidence (PEPIPICO) technique. Chemical Physics Letters 159:4, pages 355-360.
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C.-M. Liegener & R. Chen. (1988) Calculation of the Auger spectrum of liquid water. The Journal of Chemical Physics 88:4, pages 2618-2623.
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F. L. Hutson & D. E. Ramaker. (1987) Identification of resonant excitation and shakeoff contributions to the C K V V Auger line shapes of several gas phase hydrocarbons . The Journal of Chemical Physics 87:12, pages 6824-6837.
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C.-M. Liegener, A. K. Bakhshi, Runsheng Chen & J. Ladik. (1987) Theoretical Auger spectra of the glycine ion in solution. The Journal of Chemical Physics 86:11, pages 6039-6045.
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F. P. Larkins. (1987) Interpretation of the Auger electron spectra of nitrous oxide. The Journal of Chemical Physics 86:6, pages 3239-3244.
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Sydney Leach. (1987) State-to-state studies of the dissociation of doubly-charged molecular cations: methane dication revisited. Journal of Molecular Structure 157:1-3, pages 197-214.
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H.J. Freund & C.M. Llegener. (1987) Autoionization of CO after C 1s→ Zπ* excitation: a comparison with photoemission and auger decay. Chemical Physics Letters 134:1, pages 70-75.
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R.R. Rye, J.T. YatessJr.Jr. & M.R. Albert. (1986) Functional group contributions to the auger spectra of methyl cyanide and methyl isocyanide. Journal of Electron Spectroscopy and Related Phenomena 40:1, pages 69-83.
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Christoph-Maria Liegener. (1986) Considerations on the Auger spectra of HCN. Chemical Physics Letters 123:1-2, pages 92-98.
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F. Tarantelli, A. Tarantelli, A. Sgamellotti, J. Schirmer & L. S. Cederbaum. (1985) A Green’s function and configuration interaction investigation on the doubly ionized states of H2O. The Journal of Chemical Physics 83:9, pages 4683-4690.
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F. Tarantelli, J. Schirmer, A. Sgamellotti & L.S. Cederbaum. (1985) On the Auger spectrum of silane. Chemical Physics Letters 122:1-2, pages 169-174.
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Nestor Correia, Antonio Flores-Riveros, Hans Ågren, Kurt Helenelund, Lars Asplund & Ulrik Gelius. (1985) Theory of band shape formation in Auger and autoionization spectra of molecules. Numerical applications and new high-resolution spectra for CO. The Journal of Chemical Physics 83:5, pages 2035-2052.
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H. Pulm, C.-M. Liegener & H.-J. Freund. (1985) Auger electron spectroscopic study of the CN anion: A study of the NaCN(001) surface in comparison with CO and N2. Chemical Physics Letters 119:4, pages 344-350.
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Toshio Masuoka. (1985) On the mechanism of dissociative and double photoionization in CO. The Journal of Chemical Physics 82:9, pages 3921-3928.
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L. Ungier & T. D. Thomas. (1985) Near threshold excitation of K V V Auger spectra in carbon monoxide using electron–electron coincidence spectroscopy . The Journal of Chemical Physics 82:7, pages 3146-3151.
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Christoph-Maria Liegener. (1985) Calculations on the auger spectra of ethylene and acetylene. Chemical Physics 92:1, pages 97-101.
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Christoph-Maria Liegener. (1984) Green's function calculations on the Auger spectra of CO. Chemical Physics Letters 106:3, pages 201-205.
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G. E. Laramore. (1984) Analysis of the major Auger transitions in CO and with the use of the self-consistent-field multiple-scattering method . Physical Review A 29:1, pages 23-29.
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David E. Ramaker. (1983) Comparison of photon-stimulated dissociation of gas-phase, solid and chemisorbed water. Chemical Physics 80:1-2, pages 183-202.
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H. Aksela, S. Aksela, M. Hotokka & M. Jäntti. (1983) Auger electron spectrum of the HCl molecule . Physical Review A 28:1, pages 287-293.
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Olav M. Kvalheim. (1983) Configuration interaction in the L2,3—MM Auger spectrum of HCl and Ar. Chemical Physics Letters 98:5, pages 457-462.
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R. R. Rye & J. E. Houston. (1983) Auger spectra of tetrahedral halides and hydridesa). The Journal of Chemical Physics 78:7, pages 4321-4330.
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David E. Ramaker. (1983) Comparison of photon stimulated dissociation of gas phase and chemisorbed CO. The Journal of Chemical Physics 78:6, pages 2998-3013.
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Christoph-Maria Liegener. (1982) Auger spectra by the Green's function method. Chemical Physics Letters 90:3, pages 188-192.
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Pranawa C. Deshmukh & R.G. Hayes. (1982) MS Xα calculations on the valence auger spectrum of CO. Chemical Physics Letters 88:4, pages 384-388.
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Olav M. Kvalheim. (1982) Final state correlation effects on the auger transition rates of methane. Chemical Physics Letters 86:2, pages 159-164.
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R. R. Rye & J. E. Houston. (1981) Auger spectra of methyl cyanide and related compounds. The Journal of Chemical Physics 75:5, pages 2085-2090.
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J. A. Kelber, D. R. Jennison & R. R. Rye. (1981) Analysis of the Auger spectra of CO and CO2 . The Journal of Chemical Physics 75:2, pages 652-662.
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D. R. Jennison, G. D. Stucky, R. R. Rye & J. A. Kelber. (1981) Analysis of Transition-Metal Carbonyl Auger Line Shapes. Physical Review Letters 46:14, pages 911-914.
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Falko P. Netzer. (1981) Auger line shape analysis for characterization of molecular surface reaction products. Applications of Surface Science 7:4, pages 289-311.
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D.T. Clark, A. Sgamellotti & F. Tarantelli. (1980) A non-empirical LCAO MO SCF investigation of the ground and core hole states of some simple AH2 systems. Chemical Physics 52:1-2, pages 1-9.
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Hans Ågren & Hans Siegbahn. (1980) Many-electron contributions in the auger spectrum of CO. Chemical Physics Letters 72:3, pages 498-503.
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Dwight R. Jennison. (1980) The calculation of molecular and cluster auger spectra. Chemical Physics Letters 69:3, pages 435-440.
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B. T. Pickup & D. W. Sabo. (1980) Approximate energy expression in the calculation of photoelectron transition energies. Theoretica Chimica Acta 58:1, pages 1-8.
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Olav M. Kvalheim & Knut FægriJr.Jr.. (1979) Correlation effects in the Auger spectra of hydrogen fluoride and neon. Chemical Physics Letters 67:1, pages 127-133.
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K. Faegri & H. P. Kelly. (1979) Calculated Auger transition rates for HF. Physical Review A 19:4, pages 1649-1655.
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F.P. Netzer & J.A.D. Matthew. (1979) Auger spectra of CO, C2H4, C2N2 and C6H6 adsorbed on Pt(111). Journal of Electron Spectroscopy and Related Phenomena 16:3, pages 359-370.
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R. R. Rye, T. E. Madey, J. E. Houston & P. H. Holloway. (1978) Chemical-state effects in Auger electron spectroscopy. The Journal of Chemical Physics 69:4, pages 1504-1512.
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M.A. Robb, G. Theodorakopoulos & I.G. Csizmadia. (1978) Theoretical Auger energies using a frozen orbital approximation: The S(2p → mm′) and O(1s → mm′) Auger spectrum of SO2. Chemical Physics Letters 57:3, pages 423-428.
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Richard H.A. Eade, Michael A. Robb, Giannoula Theodorakopoulos & Imre Csizmadia. (1977) Calculation of sulphur L(S2p)-MM Auger energies of H2S. Chemical Physics Letters 52:3, pages 526-529.
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J.M. White, R.R. Rye & J.E. Houston. (1977) Experimental auger electron spectrum of ammonia. Chemical Physics Letters 46:1, pages 146-150.
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D.B. Adams. (1977) An Ab initio study of core auger and core electron binding energy shifts in some chlorine-containing systems. Journal of Electron Spectroscopy and Related Phenomena 10:3, pages 247-258.
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