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Titlebook: Density-Functional Methods for Excited States; Nicolas Ferré,Michael Filatov,Miquel Huix-Rotllant Book 2016 Springer International Publish

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發(fā)表于 2025-3-21 19:00:24 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
書(shū)目名稱(chēng)Density-Functional Methods for Excited States
編輯Nicolas Ferré,Michael Filatov,Miquel Huix-Rotllant
視頻videohttp://file.papertrans.cn/266/265640/265640.mp4
概述This series presents critical reviews of the present position and future trends in modern chemical research.Short and concise reports on chemistry, each written by the world renowned experts.Still val
叢書(shū)名稱(chēng)Topics in Current Chemistry
圖書(shū)封面Titlebook: Density-Functional Methods for Excited States; Nicolas Ferré,Michael Filatov,Miquel Huix-Rotllant Book 2016 Springer International Publish
描述The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science..The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience..Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field..Review articles for the individual volumes are invited by the volume ed
出版日期Book 2016
關(guān)鍵詞Absorption Spectroscopy; Computational Molecular Spectroscopy; Conical Intersections; DMFT; Density Matr
版次1
doihttps://doi.org/10.1007/978-3-319-22081-9
isbn_softcover978-3-319-38724-6
isbn_ebook978-3-319-22081-9Series ISSN 0340-1022 Series E-ISSN 1436-5049
issn_series 0340-1022
copyrightSpringer International Publishing Switzerland 2016
The information of publication is updating

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Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems,ible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended π-conjugated systems, donor–acceptor charge transfer adducts, etc.
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Book 2016s all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science..The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emergi
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Gemeinsame Annahmen in der Familientherapiesfer, etc.). We present a series of recent applications of TD-DFT methodology for these different aspects. The main conclusions of TD-DFT benchmarks aiming at pinpointing the most suited exchange-correlation functionals are also discussed.
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Computational Molecular Electronic Spectroscopy with TD-DFT,sfer, etc.). We present a series of recent applications of TD-DFT methodology for these different aspects. The main conclusions of TD-DFT benchmarks aiming at pinpointing the most suited exchange-correlation functionals are also discussed.
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