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Atom‐molecule correlation tables for linear ( D ∞h ) and bent ( C 2 v ) molecular electronic states of symmetric triatomic molecules
Author(s) -
Schneiderman S. B.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560020711
Subject(s) - triatomic molecule , bent molecular geometry , atomic physics , linear molecular geometry , chemistry , molecule , dissociation (chemistry) , molecular orbital , electronic structure , atom (system on chip) , physics , molecular physics , computational chemistry , organic chemistry , computer science , embedded system
Tables are given correlating states of the separated atoms with the possible linear ( D ∞h ) and bent ( C 2v ) molecular electronic states of symmetric triatomic molecules which can be formed therefrom. For molecular states arising from identical states of the end atoms, each entry in the tables is particular for a set of atomic spatial and spin states. For cases involving non‐identical states of the separated atoms, spin and orbital angular momenta are treated separately and the tables are general. Russell‐Saunders type coupling is assumed throughout. The tables are extensive enough to include most cases of interest for this type of molecule and should prove useful in the interpretation of molecular spectra and the calculation of dissociation energies and effective internuclear potentials.