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Original Articles

Ab initio treatment of the Renner-Teller effect and application to various AH2 and HAB molecules

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Pages 85-124 | Published online: 11 Aug 2008

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Read on this site (15)

M. Perić. (2007) A model for the Renner–Teller effect in any linear molecule. Molecular Physics 105:1, pages 59-69.
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Heike Martini, ChristelM. Marian & Miljenko Peric. (1998) Theoretical investigation of fine-structure effects in the bending and symmetric stretching vibronic spectrum of FeH2 and FeD2. Molecular Physics 95:1, pages 27-42.
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M. Staikova, B. Engels, M. Perić & S.D. Peyerimhoff. (1993) Ab initio calculations of the vibronically averaged hyperfine coupling constants in the 12Π (X2B1, A2A1) state of the water cation. Molecular Physics 80:6, pages 1485-1497.
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M. Perić & S.D. Peyerimhoff. (1993) Ab initio CI investigation of the electronic spectrum of BF2 . Molecular Physics 78:4, pages 877-892.
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Willi Reuter, Miljenko Perić & SigridD. Peyerimhoff. (1991) Ab initio study of the vibronic structure for the X2B1 and A2A1 electronic states of H2O+ . Molecular Physics 74:3, pages 569-589.
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M. Perić, SigridD. Peyerimhoff & RobertJ. Buenker. (1990) Ab initio investigation of the vibronic structure of the C2H spectrum. Molecular Physics 71:4, pages 693-719.
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Miljenko Perić, K. Bhanuprakash & RobertJ. Buenker. (1988) Ab initio MRD-CI study of the Renner-Teller effect and spin-orbit coupling in the X 2Π ground state of BO2 . Molecular Physics 65:2, pages 403-412.
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G. Duxbury & Ch. Jungen. (1988) Effects of orbital angular momentum in CH2 The Renner-Teller effect. Molecular Physics 63:6, pages 981-998.
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Miljenko Perić, SigridD. Peyerimhoff & RobertJ. Buenker. (1987) Theoretical study of the U.V. spectrum of acetylene. Molecular Physics 62:6, pages 1339-1356.
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M. Perić, R.J. Buenker & S.D. Peyerimhoff. (1987) Theoretical study of the vibronic structure of the 1 1Π ← X 1Σ+ electronic transition in HCN and DCN. Molecular Physics 62:6, pages 1323-1338.
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Miljenko Perić, RobertJ. Buenker & SigridD. Peyerimhoff. (1986) Use of trigonometric series for solution of the Schrödinger equation for bending vibrations in triatomic molecules. Molecular Physics 59:6, pages 1283-1303.
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Miljenko Perić, BerndA. Hess & RobertJ. Buenker. (1986) Ab initio MRD-CI study of the Renner-Teller effect and spin-orbit coupling in the X 2π ground state of NCO. Molecular Physics 58:5, pages 1001-1011.
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Articles from other publishers (49)

Pablo Gamallo, Miguel González & Carlo Petrongolo. (2021) Quantum Dynamics of Nonadiabatic Renner–Teller Effects in Atom + Diatom Collisions. The Journal of Physical Chemistry A 125:31, pages 6637-6652.
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Ch. Jungen. (2019) The Renner-Teller effect revisited 40 years later. Journal of Molecular Spectroscopy 363, pages 111172.
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Laurent H. Coudert, Bérenger Gans, Gustavo A. Garcia & Jean-Christophe Loison. (2018) Renner-Teller effects in the photoelectron spectra of CNC, CCN, and HCCN. The Journal of Chemical Physics 148:5.
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Marko Mitić, Radomir Ranković, Milan Milovanović, Stanka Jerosimić & Miljenko Perić. (2016) Underlying theory of a model for the Renner–Teller effect in any-atomic linear molecules on example of the X 2Πu electronic state of C5−. Chemical Physics 464, pages 55-68.
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M. Perić, S. Jerosimić, M. Mitić, M. Milovanović & R. Ranković. (2015) Underlying theory of a model for the Renner–Teller effect in tetra-atomic molecules: X 2Π u electronic state of C2H2+ . The Journal of Chemical Physics 142:17.
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Ljiljana Stojanović, Stanka Jerosimić & Miljenko Perić. (2011) An ab initio study on the ground and low-lying doublet electronic states of linear C2As. Chemical Physics 379:1-3, pages 57-65.
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Stanka Jerosimić, Ljiljana Stojanović & Miljenko Perić. (2010) Ab initio study of the 1 Δ2-X̃ Π2 electronic transition of C2As . The Journal of Chemical Physics 133:2.
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Stanka Jerosimić & Miljenko Perić. (2008) An ab initio calculation of the vibronic energy levels of the X Π2 and 1 Δ2 electronic states of C2P . The Journal of Chemical Physics 129:14.
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S. Gómez-Carrasco & H. Köppel. (2008) Ab initio study of the Renner–Teller effect in the 2Π electronic state of the OHF− anion. Chemical Physics 346:1-3, pages 81-88.
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Radomir Ranković, Stanka Jerosimić & Miljenko Perić. (2008) Theoretical investigation of the vibronic spectrum in the XΠu2 electronic state of C6+. The Journal of Chemical Physics 128:15.
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Miljenko Perić, Radomir Ranković & Stanka Jerosimić. (2008) Renner–Teller effect in six-atomic molecules: Ab initio investigation of the vibronic spectrum of. Chemical Physics 344:1-2, pages 35-51.
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Miljenko Perić, Milena Petković & Stanka Jerosimić. (2008) Renner–Teller effect in five-atomic molecules: Ab initio investigation of the spectrum of. Chemical Physics 343:2-3, pages 141-157.
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Miljenko Perić, Stanka Jerosimić, Radomir Ranković, Marija Krmar & Jelena Radić-Perić. (2006) An ab initio model for handling the Renner–Teller effect in tetra-atomic molecules. I. Introduction of coordinates and the Hamiltonian. Chemical Physics 330:1-2, pages 60-72.
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M. Ehara, S. Yasuda & H. Nakatsuji. (2003) Fine Theoretical Spectroscopy Using SAC-CI General- R Method: Outer- and Inner-Valence Ionization Spectra of N 2 O and HN 3 . Zeitschrift für Physikalische Chemie 217:2, pages 161-176.
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Horst K��ppel & Wolfgang Domcke. 2002. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Miljenko Perić & Sigrid D. Peyerimhoff. 2002. The Role of Rydberg States in Spectroscopy and Photochemistry. The Role of Rydberg States in Spectroscopy and Photochemistry 137 178 .
Jan Weiß & Reinhard Schinke. (2001) Renner–Teller induced predissociation of HNO(Ã 1A″): Rotational-state dependent linewidths of quasibound states. The Journal of Chemical Physics 115:7, pages 3173-3183.
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M. Rotger, A. Decrette, V. Boudon, M. Loëte, S. Sander & H. Willner. (2001) High-Resolution Spectroscopy and Preliminary Analysis of the ν1/ν8 Dyad of SF535Cl. Journal of Molecular Spectroscopy 208:2, pages 169-179.
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Miljenko Perić, Marija Krmar, Jelena Radić-Perić & Ljiljana Stevanović. (2001) Ab Initio Investigation of the Renner–Teller Effect in the A3Π Electronic State of NCN. Journal of Molecular Spectroscopy 208:2, pages 271-280.
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Miljenko Perić, Marija Krmar, Jelena Radić-Perić & Michael Hanrath. (2000) Ab Initio Investigation of the … π2 (X3Σ , 11Δ , 11Σ ) Electronic States of NCN. Study of the Renner–Teller Effect in the 11Δ State. Journal of Molecular Spectroscopy 204:2, pages 226-234.
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Jan Weiß, Reinhard Schinke & Vladimir A. Mandelshtam. (2000) Renner–Teller induced photodissociation of HCO in the first absorption band: Determination of linewidths for the Ã 2A″ K=0,1 states by filter-diagonalization. The Journal of Chemical Physics 113:11, pages 4588-4597.
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Boris Schäfer, Miljenko Perić & Bernd Engels. (1999) Ab initio investigation of the vibronic spectrum involving the two lowest-lying electronic states of HCCO . The Journal of Chemical Physics 110:16, pages 7802-7810.
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Miljenko Perić. (1999) Perturbative and variational handling of the Renner–Teller effect in Δ electronic states of triatomic molecules. Chemical Physics Letters 301:1-2, pages 73-80.
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J.R. Alvarez-Collado. (1998) On derivation of curvilinear ro-vibrational quantum kinetic energy operator, for polyatomic molecules. Journal of Molecular Structure: THEOCHEM 433:1-3, pages 69-81.
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M. Perić, B. Ostojić, B. Schäfer & B. Engels. (1997) Ab initio treatment of the Renner-Teller effect in tetra-atomic molecules undergoing large amplitude bending vibrations. Chemical Physics 225:1-3, pages 63-76.
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M. Perić, B. Ostojić & J. Radić-Perić. (1997) Ab initio investigation of the Renner-Teller effect in tetra-atomic molecules. Physics Reports 290:5-6, pages 283-357.
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Andrea Loettgers, Agathe Untch, Hans-Martin Keller, Reinhard Schinke, Hans-Joachim Werner, Cornelia Bauer & Pavel Rosmus. (1997) Ab initio study of the photodissociation of HCO in the first absorption band: Three-dimensional wave packet calculations including the X̃2A′ − Ã2A ″ Renner–Teller coupling . The Journal of Chemical Physics 106:8, pages 3186-3204.
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C. M. Marian & M. Perić. (1996) Ab initio calculation of the potential energy surface for the large-amplitude bending and symmetric stretching vibration in the electronic ground state of XeF2. Zeitschrift für Physik D Atoms, Molecules and Clusters 36:3-4, pages 285-291.
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Gregory V. Hartland, Dong Qin & Hai-Lung Dai. (1995) Renner–Teller effect on the highly excited bending levels of a ̃ 1 A 1 CH2 . The Journal of Chemical Physics 102:17, pages 6641-6645.
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M. Perić, B. Engels & S. D. Peyerimhoff. 1995. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy 261 356 .
A. Koch & S.D. Peyerimhoff. (1994) Vibrational analysis of low-lying K-shell excited states in H2O and D20 calculated by an ab initio multireference CI method. Chemical Physics 189:1, pages 67-81.
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Th. Krossner, M. Perić, R. Vetter & L. Zülicke. (1994) Ab   initio investigation of the vibrational structure of absorption and emission spectra of FCO . The Journal of Chemical Physics 101:5, pages 3981-3988.
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M. Perić & Sigrid D. Peyerimhoff. (1993) Ab initio investigation of the vibronic structure of the 3 p  2Π (Rydberg) state of HCO and DCO . The Journal of Chemical Physics 98:5, pages 3587-3591.
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Robert A. Beärda, Marc C. van Hemert & Ewine F. van Dishoeck. (1992) Photodissociation of CH2. I. Potential energy surfaces of the dissociation into CH and H. The Journal of Chemical Physics 97:11, pages 8240-8249.
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B. Engels & M. Perić. (1992) Ab initio calculations of the vibronically averaged hyperfine coupling constants for the 1 2Π u electronic state of CH2+ . The Journal of Chemical Physics 97:10, pages 7629-7636.
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M. Perić & B. Engels. (1992) Ab   initio calculation of the vibronically averaged values for the hyperfine coupling constants in NH2, NHD, and ND2 . The Journal of Chemical Physics 97:7, pages 4996-5006.
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M. Perić, S. D. Peyerimhoff & R. J. Buenker. (1992) Analysis and predictions of the vibronic spectrum of the ethynyl radical C2H by ab initio methods. Zeitschrift für Physik D Atoms, Molecules and Clusters 24:2, pages 177-198.
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B. Engels, M. Perić, W. Reuter, S. D. Peyerimhoff & F. Grein. (1992) Study of the hyperfine coupling constants (14N and 1H) of the NH2 molecules in the X  2 B 1 ground state and the A  2 A 1 excited state . The Journal of Chemical Physics 96:6, pages 4526-4535.
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Willi Reuter & Sigrid D. Peyerimhoff. (1992) Ab initio study of the vibrational structure of the X 2A1 and A 2B1 electronic states of CH+2. Chemical Physics 160:1, pages 11-24.
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U. Manthe, H. Köppel & L. S. Cederbaum. (1991) Dissociation and predissociation on coupled electronic potential energy surfaces: A three-dimensional wave packet dynamical study. The Journal of Chemical Physics 95:3, pages 1708-1720.
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Miljenko Perić, Willi Reuter & Sigrid D. Peyerimhoff. (1991) Ab initio investigation of the vibronic structure in the C2H spectrum: Spin-orbit splitting of the vibronic levels. Journal of Molecular Spectroscopy 148:1, pages 201-212.
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Miljenko Perić, Sigrid D. Peyerimhoff & Robert J. Buenker. (1991) Ab initio investigation of the vibronic structure in the C2H spectrum: Calculation of vibronic energies and wavefunctions for various isotopomers. Journal of Molecular Spectroscopy 148:1, pages 180-200.
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U. Manthe & H. Köppel. (1991) Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces. Chemical Physics Letters 178:1, pages 36-42.
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William H. GreenJr.Jr., Nicholas C. Handy, Peter J. Knowles & Stuart Carter. (1991) Theoretical assignment of the visible spectrum of singlet methylene. The Journal of Chemical Physics 94:1, pages 118-132.
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Carlo Petrongolo. (1988) Nonadiabatic theory of triatomics: General formalism and application to Renner–Teller and conical-intersection effects. The Journal of Chemical Physics 89:3, pages 1297-1308.
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M. Perić, H. Dohmann, S. D. Peyerimhoff & Robert J. Buenker. (1987) Potential surfaces for valence-type singlet electronic states of the HCN molecule. Zeitschrift für Physik D Atoms, Molecules and Clusters 5:1, pages 65-75.
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P. J. Bruna & S. D. Peyerimhoff. 1987. Advances in Chemical Physics. Advances in Chemical Physics 1 97 .
A. B. Sannigrahi & Sigrid D. Peyerimhoff. (2004) Ab initio scf and Ci study of the electronic structure of the trichlorine radical. International Journal of Quantum Chemistry 30:3, pages 413-420.
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Robert J. Buenker. (2004) Combining perturbation theory techniques with variational CI calculations to study molecular excited states. International Journal of Quantum Chemistry 29:3, pages 435-460.
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