Variational calculations of vibrational and vibration-rotational properties of ozone

Vibrational and vibration-rotational energy levels of ozone and its isotopics substitutes have been calculated variationally by the ladder operator method. Thirty vibrational band origins and rotational energies of vibrational ground states for these molecules have been given. The good aggreement between the calculated results and the observed values shows that the calculation method is a promising one for variational studies of vibrational and vibration-rotational properties of nonlinear polyatomic molecules

[1]  Daniel Huber.  Energies of vibrating and rotating molecules by ladder operators , 1985 .

[2]  M. Wolfsberg,et al.  Variational calculation of lower vibrational energy levels of formaldehyde X̃ 1A1 , 1984 .

[3]  G. D. Carney,et al.  Variational calculations of vibrational properties of ozone , 1977 .

[4]  N. Handy,et al.  Variational calculation of vibration-rotation energy levels for triatomic molecules , 1975 .

[5]  N. Handy,et al.  Vibration-rotation wavefunctions and energies for the ground electronic state of the water molecule by a variational method , 1974 .

[6]  S. Cesaro,et al.  Infrared matrix isolation of, and bonding in, the oxides of group vib elements: O3, SO2, SeO2, and TeO2 , 1974 .

[7]  A. Barbe,et al.  Infrared spectra of 16O3 and 18O3: Darling and Dennison resonance and anharmonic potential function of ozone , 1974 .

[8]  Ian M. Mills,et al.  Anharmonic force constant calculations , 1972 .

[9]  J. H. Shaw,et al.  Upper state rotational constants for the (ν1 + ν2 + ν3) combination band of ozone , 1972 .

[10]  L. Andrews,et al.  Argon matrix Raman and infrared spectra and vibrational analysis of ozone and the oxygen-18 substituted ozone molecules , 1972 .

[11]  L. Brewer,et al.  Infrared Absorption Spectra of Isotopic Ozone Isolated in Rare‐Gas Matrices , 1972 .

[12]  S. Clough,et al.  Millimeter wave spectrum of ozone , 1971 .

[13]  Takehiko Tanaka,et al.  Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited vibrational states , 1970 .

[14]  J. Watson.  Simplification of the molecular vibration-rotation hamiltonian , 2002 .

[15]  F. X. Kneizys,et al.  Coriolis Interaction in the ν1 and ν3 Fundamentals of Ozone , 1966 .

[16]  D. Mccaa,et al.  The (ν1 + ν3) combination band of ozone , 1964 .

[17]  R. Hughes.  Structure of Ozone from the Microwave Spectrum between 9000 and 45 000 Mc , 1956 .

[18]  L. Pierce.  Determination of the Potential Constants of Ozone from Centrifugal Distortion Effects , 1956 .

[19]  C. Burrus,et al.  The Molecular Structure, Dipole Moment, and g Factor of Ozone from Its Microwave Spectrum , 1953 .

[20]  M. Wilson,et al.  A Reinvestigation of the Vibration Spectrum of Ozone , 1948 .