Theoretical infrared transition matrix elements for the water molecule

Keywords

Infrared, Molecule, Matrix (chemical analysis), Materials science, Stochastic matrix

References

• Integrated intensity of the 6.3-micro band of water vapor.A. Goldman, U. P. Oppenheim — 1966
• Strengths of Twenty Lines in the ν 3 Band of Water VaporHarold J. Babrov, Anthony R. Healy — 1969
• A limited basis molecular orbital calculation on H2O and H2OJack A. Smith, Poul Jo rgensen, Yngve Öhrn — 1975
• Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atomsG. C. Lie, E. Clementi — 1974
• Strengths of Forty-two Lines in the ν 1 and ν 3 Bands of Water Vapor*Harold J. Babrov, Frank Casden — 1968
• Infrared and Raman spectra of polyatomic moleculesG. Herzberg, Bryce Crawford — 1946
• THE STRENGTHS, WIDTHS, AND SHAPES OF INFRARED LINES: I. GENERAL CONSIDERATIONSW. S. Benedict, Robert K Herman, Gordon E. Moore — 1956
• Valence excited states of CH. II. PropertiesG. C. Lie, Juergen Hinze, Bowen Liu — 1973
• Strengths and air-broadened widths of H2O lines in the 2950–3400 cm-1 regionRobert A. Toth — 1973
• Valence Excited States of CH. 111. Radiative LifetimesJuergen Hinze, G. C. Lie, B. Liu — 1975
• Ab initio SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfacesBruce J. Rosenberg, Walter C. Ermler, Isaiah Shavitt — 1976
• Ab initio SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree-Fock limitBruce J. Rosenberg, Isaiah Shavitt — 1975
• Dipole moment of water from Stark measurements of H2O, HDO, and D2OS. A. Clough, Yardley Beers, Gerald P. Klein — 1973
• Applied numerical methodsDonald Greenspan, Brice Carnahan, H. Luther — 1969
• Study of the theoretical dipole moment function and infrared transition matrix for the X1Σ+ state of the HF moleculeG. C. Lie — 1974
• Absolute H2Ov2-band intensity obtained from reacting H2 + O2 mixtures behind shock wavesC. W. von Rosenberg, N. H. Pratt, K.N.C. Bray — 1970
• Measurements of infrared absorption by water vapor at temperatures to 1000°KRobert M. Goldstein — 1964
• Spectral emissivities and integrated intensities of the 6·3-μ fundamental band of H2OC. B. Ludwig, C. C. Ferriso, C.N. Abeyta — 1965
• Anharmonic force constants of waterD. Foss Smith, John Overend — 1972

Cited by

• The effects of rotation, vibration and isotopic substitution on the electric dipole moment, the magnetizability and the nuclear magnetic shielding of the water moleculePatrick W. Fowler, W.T. Raynes — 1981
• Contact transformational and quantum chemical calculations of the integrated intensities of fundamental, first and second overtone, binary combination and difference infrared absorption bands of the water moleculeDidier Berckmans, H.P. Figeys, Paul Geerlings — 1986
• Ab initio calculations of the Raman intensities of fundamental vibrations of polyatomic molecules using the improved virtual orbital techniquePaul Raeymaekers, H.P. Figeys, Paul Geerlings — 1988
• Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCNG. C. Lie, Sigrid D. Peyerimhoff, Robert J. Buenker — 1982
• Dipole moment, magnetizability and nuclear shielding surfaces for the water moleculePatrick W. Fowler, Gillian Riley, W.T. Raynes — 1981
• Comparisons of ab-initio and empirical vibrational intensities for isotopic water moleculesG. D. Carney — 1980
• Ab Initio SCF and CI Studies on the Ground State of the Water Molecule. III. Vibrational Analysis of Potential Energy and Property SurfacesW. C. Ermler, B. Rosenberg, I. Shavitt — 1985

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