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An Analysis for some Methods and Algorithms of Quantum Chemistry

Thorsten Rohwedder




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 |  2011-05-24 | Original language:English | PDF # 1 |  8.66 x.31 x5.91l,.46 | File type: PDF | 136 pages

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In the field of ab-initio calculation of theproperties of atoms, molecules and solids, the solution of the electronic Schrödinger equation,an operator eigenvalue equation for the Hamiltonianof the system, plays a major role. Of utmost significance is thelowest eigenvalue of this Hamiltonian, representing the ground state energy of the system.To meet the requirements of the multitude of possibleapplications of the electronic Schrödinger equation,the last decades...

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