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New Methods in Computational Quantum Mechanics (Advances in Chemical Physics)

From I Prigogine and Stuart A Rice




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 | #18840056 in Books |  I Prigogine and Stuart A Rice |  1996-04-25 | Original language:English | PDF # 1 |  9.61 x1.06 x6.42l,2.51 | File type: PDF | 812 pages

 | New methods in computational quantum mechanics

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The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretat...

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