{"term":{"id":"05337","doi":"10.1351\/goldbook.R05337","code":"R05337","status":"current","longtitle":"IUPAC Gold Book - resonance integral, H_rs","title":"resonance integral","termversion":"2.3.3","lastupdated":"2014-02-24","definitions":[{"id":"1","text":"In Hückel molecular orbital theory, the integral over space of the type ∫ ψ r * H ̂ ψ s d τ where H(hat) is the hamiltonian operator and ψ r and ψ s are different wavefunctions.","links":[{"title":"molecular orbital","type":"goldify","url":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/M03996"},{"title":"hamiltonian operator","type":"goldify","url":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/H02730"}],"math":[{"alttext":"∫ ψ r * H ̂ ψ s d τ","latex":"\\int \\psi _{r}^{*}\\ \\hat{H}\\ \\psi _{s} \\ \\text{d}\\tau "},{"alttext":"H(hat)","latex":"\\hat{H}"},{"alttext":"ψ r","latex":"\\psi _{r}"},{"alttext":"ψ s","latex":"\\psi _{s}"}],"sources":["Green Book, 2nd ed., p. 17 (https:\/\/goldbook.iupac.org\/files\/pdf\/green_book_2ed.pdf)"]}],"links":{"html":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/R05337\/html","json":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/R05337\/json","xml":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/R05337\/xml","plain":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/R05337\/plain","pdf":"https:\/\/dev.goldbook.iupac.org\/terms\/view\/R05337\/pdf"},"citation":"Citation: 'resonance integral' in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351\/goldbook.R05337","license":"The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International (https:\/\/creativecommons.org\/licenses\/by-sa\/4.0\/) for individual terms.","collection":"If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org .","disclaimer":"The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using.","accessed":"2023-12-03T11:50:16+00:00"}}