화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.12, 2612-2616, 2001
Brief comments on perturbation theory of a nonsymmetric matrix: The GF matrix
Perturbation theory for nonsymmetric matrices is discussed for the GF matrix for molecular vibrations. As a simple extension of early results, two approaches are given: one a direct diagonalization of the nonsymmetric matrix, the other a presymmetrization. Presymmetrization of the GF matrix, well known for DeltaF, is also described here for DeltaG. It permits the use of standard perturbation theory for symmetric matrices. Application of the second-order expression for the DeltaG case to the determination of the frequencies of many ozone isotopomers is given elsewhere.