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Ab Initio Calculations
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Until recently quantum chemical ab initio calculations were re stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated : "Almost
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Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically
Electron Correlation in Molecules
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Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes,