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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 116, 2018 - Issue 17
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Research Articles

A multi-reference CI study of the low-lying valence and Rydberg states of CF3 radical

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Pages 2187-2195 | Received 16 Oct 2017, Accepted 09 Apr 2018, Published online: 08 May 2018

References

  • J.R. Lucena Jr., E. Ventura, S.A. do Monte, M.N. Ramos, R. Fausto, and R.C.M.U. Araújo, J. Chem. Phys. 127, 164320 (2007).
  • M-w Yen, P.M. Johnson, and M.G. White, J. Chem. Phys. 99, 126 (1993).
  • H. Biehl, K.J. Boyle, R.P. Tuckett, H. Baumgärtel, and H.W. Jochims, Chem. Phys. 214, 367 (1997).
  • M. Suto and L.C. Lee, J. Chem. Phys. 79, 1127 (1983).
  • M. Suto and N. Washida, J. Chem. Phys. 78, 1007 (1983).
  • M. Suto, N. Washida, H. Akimoto, and M. Nakamura, J. Chem. Phys. 78, 1019 (1983).
  • N. Washida, M. Suto, S. Nagase, U. Nagashima, and K. Morokuma, J. Chem. Phys. 78, 1025 (1983).
  • M. Suto and N. Washida, J. Chem. Phys. 78, 1012 (1983).
  • R.W. Dreyfus and L. Urbach, Chem. Phys. Lett. 114, 376 (1985).
  • C.R. Quick Jr., J.J. Tiee, J. Preses, and R.E. Weston Jr., Chem. Phys. Lett. 114, 371 (1985).
  • R. Hermann, Int. J. Radiat. Appl. Instrum., Part C, Radiat. Phys. Chem. 34, 369 (1989).
  • R. Hermann, Int. J. Radiat. Appl. Instrum., Part C, Radiat. Phys. Chem. 36, 227 (1990).
  • C. Larrieu, M. Chaillet, and A. Dargelos, J. Chem. Phys. 96, 3732 (1992).
  • N. Basco and F.G.M. Hathorn, Chem. Phys. Lett. 8, 291 (1971).
  • B. Huron, J.P. Malrieu, and P. Rancurel, J. Chem. Phys. 58, 5745 (1973).
  • B. Huron and P. Rancurel, Chem. Phys. Lett. 13, 515 (1972).
  • P. Rancurel, B. Huron, L. Praud, J.P. Malrieu, and G. Berthier, J. Mol. Spectrosc. 60, 259 (1976).
  • J.P. Malrieu and F. Spiegelmann, Theor. Chim. Acta. 52, 55 (1979).
  • I. Rozum, N.J. Mason, and J. Tennyson, New J. Phy. 5, 1–155.12 (2003).
  • H. Lischka, R. Shepard, F.B. Brown, and I. Shavitt, Int. J. Quantum Chem., Quantum Chem. Symp. 15, 91 (1981).
  • R. Shepard, I. Shavitt, R.M. Pitzer, D.C. Comeau, M. Pepper, H. Lischka, P.G. Szalay, R. Ahlrichs, F.B. Brown, and J. Zhao, Int. J. Quantum Chem., Quantum Chem. Symp. 22, 149 (1988).
  • H. Lischka, R. Shepard, I. Shavitt, R.M. Pitzer, M. Dallos, T. Müller, P.G. Szalay, F.B. Brown, R. Ahlrichs, H.J. Böhm, A. Chang, D.C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M.J.M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E.A. Stahlberg, J.G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D.R. Yarkony, S.R. Brozell, E.V. Beck, J.P. Blaudeau, M. Ruckenbauer, B. Sellner, F. Plasser, and J.J. Szymczak, COLUMBUS, an ab-initio electronic structure program, release 7.0 (2012).
  • H. Lischka, R. Shepard, R.M. Pitzer, I. Shavitt, M. Dallos, T. Müller, P.G. Szalay, M. Seth, G.S. Kedziora, S. Yabushita, and Z. Zhang, Phys. Chem. Chem. Phys. 3, 664 (2001).
  • T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Agren, T. Andersen, K.L. Bak, V. Bakken, O. Christiansen, P. Dahle, E.K. Dalskov, T. Enevoldsen, B. Fernandez, H. Heiberg, H. Hettema, D. Jonsson, S. Kirpekar, R. Kobayashi, H. Koch, K.V. Mikkelsen, P. Norman, M.J. Packer, T. Saue, P.R. Taylor, and O. Vahtras, DALTON, an ab-initio electronic structure program, release 1.0 (1997).
  • T.H. Dunning, J. Chem. Phys. 90, 1007 (1989).
  • R.A. Kendall Jr., T. Dunnin, and R.J. Harrison, J. Chem. Phys. 96, 6796 (1992).
  • D.E. Woon and T.H. Dunning Jr., J. Chem. Phys. 100, 2975 (1994).
  • V.C. de Medeiros, R.B. de Andrade, E.F.V. Leitão, E. Ventura, G.F. Bauerfeldt, M. Barbatti, and S.A. do Monte, J. Am. Chem. Soc. 138, 272 (2016).
  • V.C. de Medeiros, S.A. do Monte, and E. Ventura, RSC Adv. 4, 64085 (2014).
  • S.R. Langhoff and E.R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
  • P.J. Bruna, S.D. Peyerimhoff, and R.J. Buenker, Chem. Phys. Lett. 72, 278 (1980).
  • R. Shepard, Int. J. Quant. Chem. 31, 33 (1987).
  • R. Shepard, H. Lischka, P.G. Szalay, T. Kovar, and M. Ernzerhof, J. Chem. Phys. 96, 2085 (1992).
  • R. Shepard, in Modern Electronic Structure Theory Part I, edited by D.R. Yarkony (World Scientific, Singapore, 1995), p. 345.
  • H. Lischka, M. Dallos, and R. Shepard, Mol. Phys. 100, 1647 (2002).
  • H. Lischka, M. Dallos, P. Szalay, D.R. Yarkony, and R. Shepard, J. Chem. Phys. 120, 7322 (2004).
  • H. Lischka, M. Dallos, P. Szalay, D.R. Yarkony, and R. Shepard, J. Chem. Phys. 120, 7330 (2004).
  • M.A.F. de Souza, E. Ventura, R.C.M.U. Araújo, M.N. Ramos, and S.A. do Monte, J. Comp. Chem. 30, 1075 (2009).
  • V.C. de Medeiros, E. Ventura, and S.A. do Monte, Chem. Phys. Lett. 546, 30 (2012).
  • S.A. do Monte, M. Dallos, T. Müeller, and H. Lischka, Coll. Czechoslovak Chem. Comm. 68, 447 (2003).
  • H. Han, B. Alday, N.S. Shuman, J.P. Wiens, J. Troe, A.A. Viggiano, and H. Guo, Phys. Chem. Chem. Phys. 18, 31064 (2016).
  • C. Yamada and E. Hirota, J. Chem. Phys. 78, 1703 (1983).
  • H. Dossmann, G.A. Garcia, L. Nahon, B.K.C. de Miranda, and C. Alcaraz, J. Chem. Phys. 136, 204304-1-8, (2012).
  • W.L. Glab, P.T. Glynn, and F. Robicheaux, Phys. Rev. A. 58, 4014 (1998).
  • F. Hagelberg, Electron Dynamics in Molecular Interactions – Principles and Applications (Imperial College Press, Singapore, 2014), p. 69.
  • J.M. Bowman, X. Huang, L.B. Harding, and S. Carter, Mol. Phys. 104, 33 (2006).
  • N.I. Butovskaya, M.N. Larichev, I.O. Leipunskii, I.I. Morozov, and V.L. Talrose, Chem. Phys. Lett. 63, 375 (1979).
  • G.L. Gutsev and T.S. Zyubina, Chem. Phys. 83, 89 (1984).

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