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Anàlisi i visualització interactiva d'orbitals de l'àtom d'hidrogen

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dc.contributor Benseny, Antoni
dc.creator Roig Gràcia, Marc
dc.date 2017-05-02T08:43:17Z
dc.date 2017-05-02T08:43:17Z
dc.date 2016-06-27
dc.date.accessioned 2024-12-16T10:24:17Z
dc.date.available 2024-12-16T10:24:17Z
dc.identifier http://hdl.handle.net/2445/110305
dc.identifier.uri http://fima-docencia.ub.edu:8080/xmlui/handle/123456789/17401
dc.description Treballs Finals de Grau de Matemàtiques, Facultat de Matemàtiques, Universitat de Barcelona, Any: 2016, Director: Antoni Benseny
dc.description Atomic orbitals and their representation are well known among the scientific comunity, and yet they hide certain complications that have not been taken into account properly. This work pretends to define atomic orbitals as electronic equidensity surfaces and to computate an interactive visualitzation which should show the different shapes of each orbital by using proper sections. It will be necessary to obtain and make a detailed analysis of the hydrogen atom eigenfunctions for each principal quantic number triplet n, l and m. Density functions and their derivatives will have to be calculated with Legendre and Laguerre associated polynomials recurrence formulas. A different study of the characteristics of all the parts of equation will provide information about the orbital critical points, which will be the basis of the visual computational method to minimize the calculations and obtain an efficient and fast programming result.
dc.format 49 p.
dc.format application/pdf
dc.language cat
dc.rights cc-by-nc-nd (c) Marc Roig Gràcia, 2016
dc.rights http://creativecommons.org/licenses/by-nc-nd/3.0/es
dc.rights info:eu-repo/semantics/openAccess
dc.source Treballs Finals de Grau (TFG) - Matemàtiques
dc.subject Orbitals atòmics
dc.subject Treballs de fi de grau
dc.subject Equació de Schrödinger
dc.subject Funcions especials
dc.subject Funcions ortogonals
dc.subject Atomic orbitals
dc.subject Bachelor's theses
dc.subject Schrödinger equation
dc.subject Special functions
dc.subject Orthogonal functions
dc.title Anàlisi i visualització interactiva d'orbitals de l'àtom d'hidrogen
dc.type info:eu-repo/semantics/bachelorThesis


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