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Computational chemistry
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ISBN: 9812812148 9789812812148 9810228430 9789810228439 Year: 1997 Publisher: Singapore World Scientific

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Abstract

The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of computational chemistry methods. The covered topics include fundamentals and applications of propagator calculations, as well as recent developments in the computationally efficient and accurate SAC-CI method, which allows calculation of various electronic states at the same time. SAC-CI studies of excited states of large molecular systems like porphyrins are reviewed, and its application to investigations of surface phenomena is discuss

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