Rovibronic spectroscopy of PN from first principles
Mikhail Semenov, Nayla El‐Kork, S. N. Yurchenko, Jonathan Tennyson
Abstract
We report an ab initio study on the rovibronic spectroscopy of the closed-shell diatomic molecule phosphorous mononitride, PN.
Topics & Concepts
Atomic physicsAb initioDipoleDiatomic moleculeAb initio quantum chemistry methodsAngular momentumTransition dipole momentSpectroscopyElectronic structureChemistryMoment (physics)PhysicsMoleculeComputational chemistryQuantum mechanicsAdvanced Chemical Physics StudiesMolecular Junctions and NanostructuresAtomic and Molecular Physics