Spin-Conserved and Spin-Flip Optical Excitations from the Bethe–Salpeter Equation Formalism
Enzo Monino, Pierre‐François Loos
Abstract
approximation employed to compute the charged excitations and screened Coulomb potential required for the BSE calculations. Dynamical corrections to the static BSE optical excitations are taken into account via an unrestricted generalization of our recently developed (renormalized) perturbative treatment. The performance of the present spin-flip BSE formalism is illustrated by computing excited-state energies of the beryllium atom, the hydrogen molecule at various bond lengths, and cyclobutadiene in its rectangular and square-planar geometries.
Topics & Concepts
PhysicsBethe–Salpeter equationQuantum mechanicsExcited stateFormalism (music)Bethe ansatzQuantum electrodynamicsBound stateMusicalQuantumVisual artsArtAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chirality