The Journal of Chemical Physics · 1987 · 22 citations · 12 references
Natural SciencesPhysicsCondensed Matter PhysicsQuantum MechanicsSpectroscopyAb Initio MethodsConfiguration InteractionRelativistic Quantum MechanicsSpin-orbit CouplingElectronic Density Of StatesRelativistic Electronic Structure
Relativistic configuration interaction calculations of five ω–ω states [3/2, 1/2, 1/2(II), 3/2(II), 5/2] of TeH are carried out. Comparison calculations of the 2Π and 4Π λ–s states are also carried out with the objective of understanding the effect of spin–orbit interaction on the electronic states of TeH. These calculations enable assignment of some of the experimentally observed spectra. The 1/2(II), 3/2(II), and 5/2 states exhibit interesting avoided crossings.
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Effective Potentials in Molecular Quantum Chemistry
Walter J. Stevens · Annual Review of Physical Chemistry · 1984 · 406 citations
Natural Sciences, Chemistry, Physics +17
Phillip A. Christiansen, K. Balasubramanian, Kenneth S. Pitzer · The Journal of Chemical Physics · 1982 · 135 citations
Natural Sciences, Chemistry, Physics +15
On the low-lying electronic states of BiF
K. Balasubramanian · Chemical Physics Letters · 1986 · 86 citations