Ab initiocalculation of vibrational dipole moment matrix elements. II. the water molecule as a polyatomic test case

This publication has 49 references indexed in Scilit:

• 6-311G is not of valence triple-zeta quality
  The Journal of Chemical Physics, 1989
• The infrared spectrum of water. Basis set dependence at the single and double excitation coupled cluster (CCSD) level of theory
  Chemical Physics Letters, 1988
• Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4
  Chemical Physics, 1988
• Molecular line parameters for the atmospheric trace molecule spectroscopy experiment
  Applied Optics, 1987
• The HITRAN database: 1986 edition
  Applied Optics, 1987
• Vibrational energy levels of formaldehyde
  The Journal of Chemical Physics, 1985
• Polyatomic, anharmonic, vibrational–rotational analysis. Application to accurateab initioresults for formaldehyde
  Journal of Computational Chemistry, 1985
• Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
  Journal of the American Chemical Society, 1980
• The influence of polarization functions on molecular orbital hydrogenation energies
  Theoretical Chemistry Accounts, 1973
• Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms
  The Journal of Chemical Physics, 1970