Multi-component molecular orbital theory

by Udagawa, Taro and Mansanori Tachikawa

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Book Description

Nova Science Publishers, 2009. Paperback. New Book. Paperback. This brief monograph describes the multi-component molecular orbital methods and the hybrid type density functional theories used to analyze such chemical phenomenon as the H/D isotope effect and positronic systems. Udagawa (quantum chemistry, Yokohama-City U., Japan) and Tachikawa (quantum chemistry, International Graduate School of Arts and Sciences, Japan) have aimed this paper primarily at fellow researchers and advanced students of quantum chemistry, providing specific examples of how MC_MO and MC_DFT are applied in the field. The authors also note that several research groups are currently using these methods and theories in conjunction with the Møller-Plesset perturbation theory and the configuration interaction method. (©2009 Book News, Inc., Portland, OR)

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