Data · dataset · 2006
Exact analytical expressions and numerical analysis of two-center Franck–Condon factors and matrix elements over displaced harmonic oscillator wave functions
Listed in Teesside University Research Data Repository
Description
Abstract
A detailed study is undertaken, using various techniques, in deriving analytical formula of Franck-Condon overlap integrals and matrix elements of various functions of power (x^l ), exponential (exp (- 2 c x)) and Gaussian (exp (- c x^2 )) over displaced harmonic oscillator wave functions with arbitrary frequencies. The results suggested by previous experience with various algorithms are presented in mathematically compact form and consist of generalization.
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The relationships obtained are val... Title of program: FRANCK (Franck-Condon factors and matrix elements programs) Catalogue Id: ADXX_v1_0 Nature of problem The programs calculate the Franck-Condon factors and matrix elements over displaced harmonic oscillator wave functions with arbitrary quantum numbers (n, n1), frequencies (a, a1) and displacement (d) for the various functions of power (x l ), exponential (exp(-2cx)) and Gaussian (exp(-cx 2 )).
Versions of this program held in the CPC repository in Mendeley Data ADXX_v1_0; FRANCK (Franck-Condon factors and matrix elements programs); 10.1016/j.cpc.2006.04.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
Links
Where it is published
- DOI doi.org/10.17632/96krfw4325.1 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Chemistry · Earth & Environmental Science · Life Sciences · Physical chemistry · Physics
Provenance · 1 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/96krfw4325.1 | 16 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].anzsrc:group:3406 | mapping · researchdata tees ac uk | vocabulary-mapper@1.0.0 | keywords['Physical Chemistry'] |
| concepts[field].local:field:chemistry | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:physics | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license_text | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |