Rσ diagonalization
DOI:
https://doi.org/10.26534/kimika.v11i1.47-50Keywords:
Rσ diagonalization, Jacobi method, eigenvectors, carbocyclic systems, Huckel approximationAbstract
The Jacobi method provides the simplest algorithm to routinely diagonalize real summetric matrices commonly encountered in chemistry courses. While more accurate and efficient procedures exist, it is particularly helpful at least for purposes of instruction. This paper introduces a modified Jacobi scheme, the Rσ diagonalization. The methods are employed in the study of the carbocyclic systems. The accuracy of the results are evaluated by comparing them with those obtained using group theory.
Downloads
How to Cite
Llaguno, C. T. (1995). Rσ diagonalization. KIMIKA, 11(1), 47–50. https://doi.org/10.26534/kimika.v11i1.47-50
Issue
Section
Research Articles
License
Authors who publish with this journal agree to the following terms:
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).
