PDF-Hartree-Fockwavefunctionforhelium.Nocorrelation
Author : tatyana-admore | Published Date : 2016-12-10
Exactwavefunctionfortheheliumatom Correlationholefortheheliumatom Interelectronicandnuclearcuspsfortheheliumatom Expansionofr12themodelofthecorrelationholeintermsofproductsofangularfunctionsthrou
Presentation Embed Code
Download Presentation
Download Presentation The PPT/PDF document "Hartree-Fockwavefunctionforhelium.Nocorr..." is the property of its rightful owner. Permission is granted to download and print the materials on this website for personal, non-commercial use only, and to display it on your personal computer provided you do not modify the materials and that you retain all copyright notices contained in the materials. By downloading content from our website, you accept the terms of this agreement.
Hartree-Fockwavefunctionforhelium.Nocorrelation: Transcript
Exactwavefunctionfortheheliumatom Correlationholefortheheliumatom Interelectronicandnuclearcuspsfortheheliumatom Expansionofr12themodelofthecorrelationholeintermsofproductsofangularfunctionsthrou. Week 1: From Schrodinger to . Hartree-Fock. Aug 25. th. –Aug 27. th. . Emilie . guidez. : . eguidez@iastate.edu. . 201 . Spedding. hall. Intro to the Schrodinger equation (SE). The objective of any quantum chemistry problem is to solve the SE. The time-independent SE (no time dependent external forces) has the form:. MolecularOrbitalsAren'tReal...MolecularorbitalsaretheeigenvectorsoftheFockmatrixinHartree-Focktheory.Hartree-Fockisjustanapproximation,evenifacompleteorbitalbasisisused.Why?Tworeasons,equivalenttoeach Ricardo Díez . Muiño. Centro de Física de Materiales. Centro Mixto CSIC-UPV/EHU. centro de física de materiales. CFM. Electron. . correlation. . methods. in . Quantum . Chemistry. Electronic. . Lucas Wagner. Used by >100 people. Open source: http://. www.qwalk.org. Solids, liquid, gas phase. Scales to >20,000 processor cores. Distributed development. Simple . separable architecture . Cohesive energy. A better way to do it. Copyright Notice. Some images used in these lectures are taken, with permission, from . “. Physical Chemistry. ”. , T. Engel and P. Reid, (Pearson, Sydney, 2006);. denoted .
Download Document
Here is the link to download the presentation.
"Hartree-Fockwavefunctionforhelium.Nocorrelation"The content belongs to its owner. You may download and print it for personal use, without modification, and keep all copyright notices. By downloading, you agree to these terms.
Related Documents
