Reduced Hamiltonian for 0100 and 0001 interacting states of tetrahedral XY _{4} molecules: Calculated r ^{2}J ^{2} and r ^{2}J ^{3}type parameters for ν_{2} and ν_{4} bands of methane
Abstract
Ambiguity of the effective Hamiltonian for the interacting E and F_{2} states of tetrahedral XY _{4} molecules was studied. Unitary transformations to yield a reduced form of the Hamiltonian were suggested, the latter including only empirically determinable parameters. The r _{2}J ^{2} and r ^{2}J ^{3}type spectroscopic parameters for the 0001 and 0100 dyad of CH _{4} molecule were calculated by means of contact transformations. It was shown that sets of spectroscopic parameters derived by several authors for the interacting ν_{2} and ν_{4} bands of CH _{4} and SiH _{4} may be related via certain unitary transformations.
 Publication:

Journal of Molecular Spectroscopy
 Pub Date:
 May 1985
 DOI:
 10.1016/00222852(85)900621
 Bibcode:
 1985JMoSp.111....1P