Analytical potential energy functions for CO+ in its ground and excited electronic states

Context Accurate functions to analytically represent the potential energy interactions of CO + diatomic system in X 2 Σ + , A 2 Π , and B 2 Σ + electronic states are proposed. The new functions depend upon only four parameters directly obtained from experimental data, without any fitting procedure....

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Bibliographic Details
Published in:	Journal of molecular modeling Vol. 30; no. 10; p. 352
Main Authors:	Araújo, Judith P., Ballester, Maikel Y., Lugão, Isadora G., Silva, Rafael P., Martins, Mariana P.
Format:	Journal Article
Language:	English
Published:	Berlin/Heidelberg Springer Berlin Heidelberg 01-10-2024 Springer Nature B.V
Subjects:	Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Electron states Energy levels Molecular Medicine Morse potential Original Paper Parameter modification Potential energy Schrodinger equation Theoretical and Computational Chemistry Improved Araújo-Ballester potential Analytical functions Excited electronic states Diatomic potential
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