secular equation

https://doi.org/10.1351/goldbook.ST07098
In @M03996@ theory, the determinant of matrix elements whose solution leads to the set of energy levels of molecular orbitals for a given system.
Source:
PAC, 1999, 71, 1919. (Glossary of terms used in theoretical organic chemistry) on page 1962 [Terms] [Paper]
Citation: 'secular equation' in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. https://doi.org/10.1351/goldbook.ST07098 RIS BibTex EndNote
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Last revised: February 24, 2014