Theoretical integrated vibrational band intensities of water vapor
- 15 July 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (2), 897-900
- https://doi.org/10.1063/1.465354
Abstract
Using variational rotational–vibrational wave functions and ab initioelectric dipole moment functions, rotational–vibrational line strengths and integrated vibrational band intensities of water vapor have been calculated. The theoretical line strengths are in excellent agreement with existing experimental data.Keywords
This publication has 8 references indexed in Scilit:
- On the use of variational wavefunctions in calculating vibrational band intensitiesMolecular Physics, 1992
- Transition frequencies and absolute strengths of H_2^17O and H_2^18O in the 62-μm regionJournal of the Optical Society of America B, 1992
- Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenThe Journal of Chemical Physics, 1989
- Calculations of the ro-vibrational absorption transition probabilities in triatomic moleculesMolecular Physics, 1988
- The variational method for the calculation of RO-vibrational energy levelsComputer Physics Reports, 1986
- Vibration-rotation intensities in H2O-type molecules application to the 2ν2, ν1, and ν3 bands of H216OJournal of Molecular Spectroscopy, 1975
- Dipole moment of water from Stark measurements of H2O, HDO, and D2OThe Journal of Chemical Physics, 1973
- PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methaneThe Journal of Chemical Physics, 1973