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Mathematical Models and Methods for Ab Initio Quantum Chemistry
 
 
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Mathematical Models and Methods for Ab Initio Quantum Chemistry [Paperback]

M. Defranceschi (Editor), C. Le Bris (Editor)

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The goal of this volume is to bring together experts on numerical analysis, computer science and chemistry and produce homogenous contributions on ab initio quantum chemistry. The papers from the different communities collected in this volume are written in a language to be comprehensible to the others. This volume is of interest to applied mathematicians and quantum chemists.
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First Sentence
The idea that the proper way to treat molecules in quantum mechanics is to treat their nuclear motions as essentially classical with the electrons treated quantum mechanically, dates from the very earliest days of the subject. Read the first page
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