The Journal of Chemical Physics · 1976 · 66 citations · 44 references
Localized Excited StateEngineeringMany-body Quantum PhysicComputational ChemistryElectronic Excited StateDegenerate MbptBiophysicsPerturbation MethodPhysicsAtomic PhysicsPhysical ChemistryQuantum ChemistryAb-initio MethodExcited State PropertyNatural SciencesMany-body Perturbation TheoryThird OrderGround StateMany-body Problem
The energy of the ground and seven excited states of BH was calculated using many-body perturbation theory (MBPT). The usual Goldstone diagrammatic expansion was applied to the ground state, and the Brandow formulation of degenerate MBPT was applied to the excited states. Corrections to third order (inclusive) were calculated. The resulting vertical excitation energies agree with experiment to better than 3% (about 0.1 eV). Transition moments are also reported.
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Gaussian-Type Functions for Polyatomic Systems. II
Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations