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Solution of anharmonic vibrational problems for the CF4 and C2H4 molecules by the variational method

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Literature cited

  1. L. A. Gribov, A. I. Pavlyuchko, and G. F. Lozenko, “Variational solution of the anharmonic problem for the CO2 and HCN molecules,” Zh. Prikl. Spektrosk.,36, 87–92 (1982).

    Google Scholar 

  2. L. A. Gribov, A. I. Pavlyuchko, and G. F. Lozenko, “Interpretation of the states and analysis of the changes in geometry of molecules in connection with anharmonic vibrational excitations,” Opt. Spektrosk.,50, 450–457 (1981).

    Google Scholar 

  3. L. A. Gribov, A. I. Pavlyuchko, and G. F. Lozenko, “The solution of direct and inverse anharmonic mechanical spectral problems for the molecules H2CO, D2CO, C2H2, and C2D2,” Zh. Prikl. Spektrosk.,36, 274–278 (1982).

    Google Scholar 

  4. L. A. Gribov, “The solution of the problem of anharmonic vibrations of large amplitude of polyatomic molecules in the exact natural coordinates,” Opt. Spektrosk.,31, 842–845 (1971).

    Google Scholar 

  5. L. A. Gribov and N. I. Prokof'eva, “An algorithm for calculation of the corrections for kinematic anharmonicity in the theory of vibrations of polyatomic molecules,” Opt. Spektrosk.,45, 899–902 (1978).

    Google Scholar 

  6. A. I. Pavlyuchko and L. A. Gribov, “Programs for calculations of the anharmonic vibrations of molecules,” Zh. Prikl. Spektrosk.,33, 904–907 (1980).

    Google Scholar 

  7. I. Suzuki, “Anharmonic potential functions of simple molecules. Direct numerical diagonalization of the vibrational Hamiltonian matrix and its application to CO and HCl,” Bull. Chem. Soc. Jpn.,44, 3277–3287 (1971).

    Google Scholar 

  8. L. A. Gribov and G. V. Khovrin, “Determination of the potential surface and analysis of anharmonic vibrations of the water molecule,” Opt. Spektrosk.,36, 475–480 (1974).

    Google Scholar 

  9. L. A. Gribov and G. V. Khovrin, “Calculation of the potential surfaces of the H2S and CO2 molecules,” Opt. Spektrosk.,36, 1098–1102 (1974).

    Google Scholar 

  10. I. Suzuki, “Anharmonic potential functions of simple molecules. II, Direct numerical diagonalization of the vibrational Hamiltonian matrix and application to CO2 and CS2,” Bull. Chem. Soc. Jpn.,48, 3565–3572 (1975).

    Google Scholar 

  11. I. Suzuki, “Anharmonic potential function of simple molecules. III. Computation of vibrational—rotational energies of XYZ and X2Y2 type linear molecules through direct numerical diagonalization: application to the N2O molecule,” Bull. Chem. Soc. Jpn.,52, 1606–1613 (1979).

    Google Scholar 

  12. A. Ford, J. G. Smith, and D. H. Whiffen, “Anharmonic force field for carbonyl sulphide,” Mol. Phys.,29, 1685–1704 (1975).

    Google Scholar 

  13. D. H. Whiffen, “Fitting molecular potential surfaces to spectroscopic observations; example of carbonyl sulphide,” Mol. Phys.,39, 391–405 (1980).

    Google Scholar 

  14. G. D. Carney and C. W. Kern, ‘Vibrational—rotational analysis of some nonlinear molecules by a variational method,” Int. J. Quant. Chem. Symp., No. 9, 317–323 (1975).

    Google Scholar 

  15. M. G. Bucknell and N. C. Handy, “Vibrational—rotational wave functions and energies for the ground electronic state of the water molecule by a variational method,” Mol. Phys.,28, 777–792 (1974).

    Google Scholar 

  16. G. D. Carney, S. R. Langhoff, and L. A. Curtiss, “Variational calculation of vibrational properties of ozone,” J. Chem. Phys.,66, 3724–3738 (1977).

    Google Scholar 

  17. G. D. Carney, L. A. Curtiss, and S. R. Langhoff, “Improved potential function for bent AB2 molecules: water and ozone,” J. Mol. Spectrosc.,64, 371–381 (1976).

    Google Scholar 

  18. R. J. Whitehead and N. C. Handy, “Variational calculation of low-lying and excited vibra- tional levels of the water molecule,” J. Mol. Spectrosc.,59, 459–469 (1976).

    Google Scholar 

  19. R. J. Whitehead and N. C. Handy, “Variational calculation of vibrational—rotational energy levels for triatomic molecules,” J. Mol. Spectrosc.,55, 356–373 (1975).

    Google Scholar 

  20. G. D. Carney and R. N. Porter, “Ab initio calculation of the vibration spectrum,” J. Chem. Phys.,65, 3547–3565 (1976).

    Google Scholar 

  21. G. D. Carney and R. N. Porter, “Ab initio prediction of the vibration spectra of the deuterated species of H +3 ,” Chem. Phys. Lett.,50, 327–329 (1977).

    Google Scholar 

  22. P. Botschwina, H. Haertner, and W. Sawadny, “Vibrational frequencies from anharmonic ab initio/empirical potential energy functions: nitrosyl chloride,” Chem. Phys. Lett.,24, 156–159 (1980).

    Google Scholar 

  23. P. Botschwina, “Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF, and HOCl,” Chem. Phys.,40, 33–44 (1979).

    Google Scholar 

  24. I. M. Mills, “Harmonic and anharmonic force field calculations,” Theor. Chem.,1, 110–159 (1974).

    Google Scholar 

  25. J. Pliva, “Anharmonic force field. Critical evaluation of chemical and physical structural information“ (edited by D. R. Lide and M. A. Paul), Ch. 5, National Academy of Sciences, Washington, D.C. (1974), pp. 283–311.

    Google Scholar 

  26. A. C. Leonnotle II, C. Marcott, and J. Overend, “Vibrational anharmonicity In CF4,” J. Chem. Phys.,68 2076–2080 (1978).

    Google Scholar 

  27. K. Machida and Y. Tanaka, “Anharmonic force field of 1,1-dichloroethylene,” J. Chem. Phys.,61, 5040–5049 (1961).

    Google Scholar 

  28. K. Machida, “Torsional coordinates in vibrational anharmonicity: application to ethylene,” J. Chem. Phys.,44, 4186–4194 (1966).

    Google Scholar 

  29. Y. Tanaka and K. Machida, “Near-infrared spectra of formamide and its anharmonic potential,” J. Molec. Spectrosc.,63, 306–316 (1976).

    Google Scholar 

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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 36, No. 6, pp. 976–980, June, 1982.

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Gribov, L.A., Lozenko, G.F. Solution of anharmonic vibrational problems for the CF4 and C2H4 molecules by the variational method. J Appl Spectrosc 36, 693–697 (1982). https://doi.org/10.1007/BF00664296

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  • DOI: https://doi.org/10.1007/BF00664296

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