Pseudopotential study of monohydrides and monoxides of main group elements K through Br
- 20 December 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 65 (6) , 1329-1336
- https://doi.org/10.1080/00268978800101821
Abstract
Ground-state properties of the fourth-row main group monohydrides XH and monoxides XO (with X = K through Br) have been determined by means of configuration interaction calculations using semi-empirical pseudopotentials including core-polarization potentials. Results are given for the spectroscopic constants R e, ωe and dissociation energies D e. The dipole moment μe of GeH is discussed.Keywords
This publication has 57 references indexed in Scilit:
- Theoretical study of electric dipole and transition moments of GeH, SnH, and PbHThe Journal of Chemical Physics, 1988
- Ground state properties of alkali and alkaline–earth hydridesThe Journal of Chemical Physics, 1987
- Theoretical study of the X 1Σ+ states of the alkali hydrides NaH–CsHThe Journal of Chemical Physics, 1986
- A photoionization study of SeH and H2SeThe Journal of Chemical Physics, 1986
- Ground-state properties of alkali dimers XY (X, Y=Li to Cs)The Journal of Chemical Physics, 1986
- A comparative study of the ground state internuclear potentials of alkali hydrides and estimation of dissociation energies with the use of the RPC (reduced potential curve) methodThe Journal of Chemical Physics, 1985
- Relativistic Effects in Chemical SystemsAnnual Review of Physical Chemistry, 1985
- Multiphoton ionization spectroscopy of ClO and BrOThe Journal of Chemical Physics, 1985
- Inclusion of core-valence correlation effects in pseudopotential calculations. II. K2and KH lowest Σ+potential curves from valence-correlated wavefunctionsJournal of Physics B: Atomic and Molecular Physics, 1983
- Chemiluminescence from the Ca(4s3d 1D)+O2 reaction: Absolute cross sections, photon yield, and CaO dissociation energyThe Journal of Chemical Physics, 1980