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Calculation Of Ground-State Energy Of He By Wave Function Including Electronic Correlation Using Monte Carlo Method

Posted on:2004-07-22Degree:MasterType:Thesis
Country:ChinaCandidate:Y C NiuFull Text:PDF
GTID:2121360092485827Subject:Physical chemistry
Abstract/Summary:PDF Full Text Request
Monte Carlo method is a kind of numerical calculating method with particular style for dealing with the question not only about randomization but also definitude. It is particularly advantageous in mathematical, physical or chemical fields where tranditional methods are inadequate.Using Monte Carlo method, this paper calculates ground-state energy of helium atom by wave function unincluding and including electronic correlation, and the results are quite good. It is an important subject to study electronic correlation. We must consider electronic correlation when we want to have more exect results than those which were calculated by Hartree-Fock self-consistent field method. It is possible for us to introduce Hylleraas type wave function with interval between electrons to consider electronic correlation.
Keywords/Search Tags:Monte Carlo method, Atomic integrals, Helium atom
PDF Full Text Request
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