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Title:
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Gaussian approximations to 1s slater-type orbitals |
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Type of Resource:
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Animação/simulação |
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Objective:
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This demonstration represents the simplest 1s slater-type orbitals |
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Abstract:
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In this Demonstration the red curve represents the simplest 1s STO. The black curve represents its approximation by a superposition of n=1 , 2, or 3 Gaussians, designated STO-nG basis functions, with n=1,2,3. You can vary the exponential parameters α1,α2, and α3 to maximize the integral S (the overlap between the STO and its Gaussian approximation) with a maximum attainable value S=1. You can plot either the orbital function Φ(r) or the radial distribution function (RDF)4πr²Φ(r)² |
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Observation:
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This demonstration needs MathematicaPlayer.EXE to run found in http://objetoseducacionais2.mec.gov.br/handle/mec/4737 |
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Curriculum Component:
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Educação Superior::Ciências Exatas e da Terra::Física |
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Theme:
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Educação Superior::Ciências Exatas e da Terra::Física::Teorias Específicas e Modelos de Interação; Sistemática de Partículas; Raios Cósmicos |
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Author:
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Blinder, S M |
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Language:
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English (en)
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Country:
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United States (us)
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Description:
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Knowledge in orbital's theory |
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Web Address:
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http://demonstrations.wolfram.com/GaussianApproximationsTo1sSlaterTypeOrbitals/
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Date:
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2008 |
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Rightsholder:
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The Wolfram Demonstrations Project & Contributors |
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License:
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Demonstration freeware using Mathematica Player |
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Submitter:
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Universidade Federal de São Carlos (UFSCAR) |
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URI:
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http://objetoseducacionais2.mec.gov.br/handle/mec/9355
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This Educational Object appears in the following
Types of resources:
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Educação Superior: Ciências Exatas e da Terra: Física: Animações/Simulações
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Click here to download the required plug-in to
visualize the resource
