| 书目名称 | Strategies and Applications in Quantum Chemistry | | 副标题 | From Molecular Astro | | 编辑 | Y. Ellinger,M. Defranceschi | | 视频video | | | 丛书名称 | Topics in Molecular Organization and Engineering | | 图书封面 |  | | 描述 | At the time when increasing numbers of chemists are beingattracted by the fascination of supposedly easy computing andassociated colourful imaging, this book appears as a counterpoint..The first part focuses on fundamental concepts of quantum chemistry,covering MCSCF theory, perturbation treatments, basis setdevelopments, density matrices, wave function instabilities tocorrelation effects, and momentum space theory. .The second part is devoted to more practical studies, ranging from thecharacterisation of exotic interstellar molecules, the accuratedetermination of spectroscopic constants, excited states structuresand EPR parameters through photochemical and charge-transferprocesses, cluster chemistry and fullerenes, muonium chemistry, to thepossible prediction of the response of materials to electric fields inview of nonlinear optical applications. ..Audience:. Graduate students and researchers whose work involvesquantum chemistry, molecular physics, and materials modelling. | | 出版日期 | Book 2002 | | 关键词 | cluster; modeling; molecule; polymer; polymers; quantum system; spectra | | 版次 | 1 | | doi | https://doi.org/10.1007/0-306-46930-8 | | isbn_softcover | 978-94-017-3786-9 | | isbn_ebook | 978-0-306-46930-5Series ISSN 0927-0817 | | issn_series | 0927-0817 | | copyright | Springer Science+Business Media Dordrecht 2002 |
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发表于 2025-3-21 16:39:26
