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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 41, 1980 - Issue 6
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Original Articles

Excited states of HCl

An ab initio configuration interaction investigation

David M. Hirst Department of Chemistry and Molecular Sciences, University of Warwick, Coventry, CV4 7AL, England
&
Martyn F. Guest Science Research Council, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, England
Pages 1483-1491 | Received 29 Jul 1980, Published online: 22 Aug 2006

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I. Cacelli, V. Carravetta & R. Moccia. (1986) Photoionization cross section calculations of HCl by the Stieltjes technique. Molecular Physics 59:3, pages 385-402.
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Articles from other publishers (47)

Åsa Larson, Johan Hörnquist, Patrik Hedvall & Ann E. Orel. (2019) Mutual neutralization in collisions of H+ with Cl − . The Journal of Chemical Physics 151:21.
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Arnar Hafliðason, Huasheng Wang & Ágúst Kvaran. (2017) High energy Rydberg and valence states and state interactions of DCl: New observations by mass resolved REMPI. Journal of Molecular Spectroscopy 341, pages 1-9.
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Jingming Long, Huasheng Wang & Ágúst Kvaran. (2013) Photofragmentations, state interactions, and energetics of Rydberg and ion-pair states: Resonance enhanced multiphoton ionization via E and V (B) states of HCl and HBr . The Journal of Chemical Physics 138:4.
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Jingming Long, Huasheng Wang & Ágúst Kvaran. (2012) Rydberg and ion-pair states of HBr: New REMPI observations and analysis. Journal of Molecular Spectroscopy 282, pages 20-26.
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Selma Engin, Nicolas Sisourat & Stéphane Carniato. (2012) Ab initio study of low-lying excited states of HCl: Accurate calculations of optical valence-shell excitations . The Journal of Chemical Physics 137:15.
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Jingming Long, Helgi Rafn Hróðmarsson, Huasheng Wang & Ágúst Kvaran. (2012) Photofragmentations, state interactions, and energetics of Rydberg and ion-pair states: Two-dimensional resonance enhanced multiphoton ionization of HBr via singlet-, triplet-, Ω = 0 and 2 states. The Journal of Chemical Physics 136:21.
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H. Lefebvre-Brion, H. P. Liebermann & G. J. Vázquez. (2011) Adiabatic versus diabatic descriptions of the lowest Rydberg and valence $1^\Sigma ^{+}$Σ+1 states of HCl. The Journal of Chemical Physics 134:20.
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Zhang Xiao-Niu, Shi De-Heng, Zhang Jin-Ping, Zhu Zun-Lüe & Sun Jin-Feng. (2010) Study on spectroscopic parameters and molecular constants of HC1( X 1 Σ + ) molecule by using multireference configuration interaction approach . Chinese Physics B 19:5, pages 053401.
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Kristján Matthíasson, Huasheng Wang & Ágúst Kvaran. (2009) Two-dimensional (2+n) REMPI of HCl: Observation and characterisation of a new Rydberg state. Journal of Molecular Spectroscopy 255:1, pages 1-5.
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Ágúst Kvaran, Huasheng Wang, Kristján Matthiasson, Andras Bodi & Erlendur Jónsson. (2008) Two-dimensional (2+n) resonance enhanced multiphoton ionization of HCl: Photorupture channels via the FΔ21 Rydberg state and ab initio spectra . The Journal of Chemical Physics 129:16.
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A. I. Chichinin, C. Maul & K.-H. Gericke. (2006) Photoionization and photodissociation of HCl(BΣ+1,J=) near 236 and 239nm using three-dimensional ion imaging. The Journal of Chemical Physics 124:22.
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Mette M.-L. Grage, Gunnar Nyman & Matthew S. Johnson. (2006) HCl and DCl: A case study of different approaches for determining photo fractionation constants. Physical Chemistry Chemical Physics 8:41, pages 4798.
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Alex Brown, G. G. Balint-Kurti & O. S. Vasyutinskii. (2004) Photodissociation of HCl and DCl:  Polarization of Atomic Photofragments. The Journal of Physical Chemistry A 108:39, pages 7790-7800.
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V. Berghof, M. S. Gudipati & N. Schwentner. (2004) Photochemistry in the charge transfer and neutral excited states of HCl in Xe and Kr matrices. The Journal of Chemical Physics 120:3, pages 1414-1425.
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Benjamin M. Auer & Anne B. McCoy. (2002) Using Diffusion Monte Carlo to Evaluate the Initial Conditions for Classical Studies of the Photodissociation Dynamics of HCl Dimer. The Journal of Physical Chemistry A 107:1, pages 4-12.
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Bing-Ming Cheng, Chao-Yu Chung, Mohammed Bahou, Yuan-Pern Lee & L. C. Lee. (2002) Quantitative spectral analysis of HCl and DCl in 120–220 nm: Effects of singlet–triplet mixing. The Journal of Chemical Physics 117:9, pages 4293-4298.
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John A. Coxon & Photos G. Hajigeorgiou. (2000) The Radial Hamiltonians for the X1Σ+ and B1Σ+ States of HCl. Journal of Molecular Spectroscopy 203:1, pages 49-64.
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Millard H. Alexander, Xioanong Li, Rohana Liyanage & Robert J. Gordon. (1998) Spin–orbit branching in the predissociation of the C 1Π state of HCl and DCl: a manifestation of quantum interference. Chemical Physics 231:2-3, pages 331-343.
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K.H. Gödderz, N. Schwentner & M. Chergui. (1996) Absorption by dissociative continua and Rydberg states in condensed matter: HCl in rare gas matrices. Chemical Physics 209:1, pages 91-100.
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Peter Nettesheim, Folkmar A. Bornemann, Burkhard Schmidt & Christof Schütte. (1996) An explicit and symplectic integrator for quantum-classical molecular dynamics. Chemical Physics Letters 256:6, pages 581-588.
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M. Hintenender, F. Rebentrost, R. B. Gerber & R. Kosloff. (1995) Molecular dynamics simulation of the photodissociation of adsorbed HCl on a MgO (001) surface. The Journal of Chemical Physics 102:1, pages 578-584.
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Millard H. Alexander, Brigitte Pouilly & Thierry Duhoo. (1993) Spin–orbit branching in the photofragmentation of HCl. The Journal of Chemical Physics 99:3, pages 1752-1764.
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A. Garc?a-Vela, R.B. Gerber, D.G. Imre & J.J. Valentini. (1993) Quantum resonances and interference effects in the UV photodissociation of Ar?HCl. Chemical Physics Letters 202:6, pages 473-478.
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A. García-Vela, R. B. Gerber & J. J. Valentini. (1992) Effects of solvation by a single atom on photodissociation: Classical and quantum/classical studies of HCl photolysis in Ar⋅⋅⋅HCl. The Journal of Chemical Physics 97:5, pages 3297-3306.
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David S. Green & Stephen C. Wallace. (1992) Two-photon spectroscopy, Rydberg∼valence interactions, and superexcited state dissociation of HCl probed by resonance enhanced multiphoton ionization. The Journal of Chemical Physics 96:8, pages 5857-5877.
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David S. Green, Grant A. Bickel & Stephen C. Wallace. (1991) (2 + 1) Resonance enhanced multiphoton ionization of hydrogen chloride in a pulsed supersonic jet: Spectroscopy and Rydberg ∼ valence interactions of the 1Σ+(0+) and 3Σ−(1, 0+) states. Journal of Molecular Spectroscopy 150:2, pages 354-387.
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David S. Green, Grant A. Bickel & Stephen C. Wallace. (1991) (2 + 1) Resonance enhanced multiphoton ionization of hydrogen chloride in a pulsed supersonic jet: Spectroscopic survey. Journal of Molecular Spectroscopy 150:2, pages 303-353.
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A. Garcia-Vela, R.B. Gerber & J.J. Valentini. (1991) Dynamics of molecular photodissociation in clusters: a study of Ar?HCl. Chemical Physics Letters 186:2-3, pages 223-228.
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Th. Glenewinkel-Meyer & Ch. Ottinger. (1991) On the chemiluminescent reaction Cl+ + H2?HCl+(A2?+) + H. Chemical Physics Letters 186:6, pages 561-564.
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Yongjin Xie, Peter T. A. Reilly, Santaram Chilukuri & Robert J. Gordon. (1991) Perturbations in the multiphoton ionization spectrum of the F  1Δ state of HCl . The Journal of Chemical Physics 95:2, pages 854-864.
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Th. Glenewinkel-Meyer, Ch. Ottinger, P. Rosmus & H.-J. Werner. (1991) MRCI potential energy functions for the charge transfer reactions H+ + HCl(X1Σ+)→ H + HCl+ (X2Πi, A 2Σ+). Chemical Physics 152:3, pages 409-427.
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S. K. Shin, Y. Chen, S. Nickolaisen, S. W. Sharpe, R. A. Beaudet & C. Wittig. 1991. Advances in Photochemistry. Advances in Photochemistry 249 363 .
Charles W. Eaker. (1990) A quasiclassical, surface hopping trajectory study of the reaction Na(2 P )+HCl→NaCl+H(2 S ) . The Journal of Chemical Physics 93:11, pages 8073-8080.
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J Jureta, S Cvejanovic, D Cvejanovic, M Kurepa & D Cubric. (1989) Threshold electron impact excitation of hydrogen chloride. Journal of Physics B: Atomic, Molecular and Optical Physics 22:16, pages 2623-2631.
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Muriel Sizun, Gérard Parlant & Eric A. Gislason. (1989) A trajectory surface-hopping study of Cl− + H2 reactive collisions. II. Results at high energy. Chemical Physics 133:2, pages 251-258.
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Muriel Sizun, Gérard Parlant & Eric A. Gislason. (1987) A new mechanism for providing stable molecular products in high energy reactions. Chemical Physics Letters 139:1, pages 1-5.
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Thomas A. Spiglanin, David W. Chandler & David H. Parker. (1987) Mass-resolved laser ionization spectroscopy of HCl. Chemical Physics Letters 137:5, pages 414-420.
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Robert Callaghan, Sivaram Arepalli & Robert J. Gordon. (1987) Resonantly enhanced two-photon spectroscopy of HCl and DCl in the 77 000–87 000 cm−1 region. The Journal of Chemical Physics 86:10, pages 5273-5280.
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Muriel Sizun, Eric A. Gislason & Gérard Parlant. (1986) A trajectory surface-hopping study of Cl− + H2 reactive collisions. Chemical Physics 107:2-3, pages 311-327.
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J. B. Nee, Masako Suto & L. C. Lee. (1986) Quantitative photoabsorption and fluorescence study of HCl in vacuum ultraviolet. The Journal of Chemical Physics 85:2, pages 719-724.
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James S. Wright & Robert J. Buenker. (1985) MRD-CI potential surfaces using balanced basis sets. III. HCl and N2. The Journal of Chemical Physics 83:8, pages 4059-4068.
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T A York & J Comer. (1984) Electron energy-loss studies using a position-sensitive multidetector electron spectrometer: the spectrum of hydrogen chloride. Journal of Physics B: Atomic and Molecular Physics 17:12, pages 2563-2575.
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R.-G. Wang, M. A. Dillon & David Spence. (1984) Electron spectroscopy of hydrogen chloride from 5 to 19 eV. The Journal of Chemical Physics 80:1, pages 63-69.
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Ewine F. van Dishoeck, Marc C. van Hemert & A. Dalgarno. (1982) Photodissociation processes in the HCl molecule. The Journal of Chemical Physics 77:7, pages 3693-3702.
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Marc Bettendorff, Sigrid D. Peyerimhoff & Robert J. Buenker. (1982) Clarification of the assignment of the electronic spectrum of hydrogen chloride based on ab initio cl calculations. Chemical Physics 66:3, pages 261-279.
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David M. Hirst. 1982. Advances in Chemical Physics. Advances in Chemical Physics 517 587 .
Dorothy S. Ginter & Marshall L. Ginter. (1981) Electronic spectra and structure of the hydrogen halides: Characterization of the electronic structure of HCl lying between 82 900 and 93 500 cm−1 above X1Σ+. Journal of Molecular Spectroscopy 90:1, pages 177-196.
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