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Titlebook: Density Functional Theory III; Interpretation, Atom R. F. Nalewajski Book 1996 Springer-Verlag Berlin Heidelberg 1996 Atom.Computer Chemie.

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書目名稱Density Functional Theory III
副標(biāo)題Interpretation, Atom
編輯R. F. Nalewajski
視頻videohttp://file.papertrans.cn/266/265630/265630.mp4
叢書名稱Topics in Current Chemistry
圖書封面Titlebook: Density Functional Theory III; Interpretation, Atom R. F. Nalewajski Book 1996 Springer-Verlag Berlin Heidelberg 1996 Atom.Computer Chemie.
出版日期Book 1996
關(guān)鍵詞Atom; Computer Chemie; Dichtefunktional-Theorie; Vibration; atoms; cluster; density; density functional the
版次1
doihttps://doi.org/10.1007/3-540-61132-0
isbn_softcover978-3-662-14839-6
isbn_ebook978-3-540-49952-7Series ISSN 0340-1022 Series E-ISSN 1436-5049
issn_series 0340-1022
copyrightSpringer-Verlag Berlin Heidelberg 1996
The information of publication is updating

書目名稱Density Functional Theory III影響因子(影響力)




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書目名稱Density Functional Theory III網(wǎng)絡(luò)公開度學(xué)科排名




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沙發(fā)
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地板
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Density functional theory of clusters of nontransition metals using simple models,li metals, is reviewed. The emphasis is on simple models that can be applied to medium-size and large clusters: spherical jellium model (SJM), deformed jellium model (DJM) spherically averaged pseudopotential model (SAPS) and cylindrically averaged pseudopotential model (CAPS). The main characterist
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發(fā)表于 2025-3-22 09:37:15 | 只看該作者
Structure and spectroscopy of small atomic clusters,a in the energy surface. We outline some of the methods that can provide experimental spectroscopic information about the structures of atomic clusters, and we show how density functional calculations can aid, in particular, the analysis of photodetachment measurements and provide interesting and unexpected results.
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https://doi.org/10.1007/978-4-431-56550-5a in the energy surface. We outline some of the methods that can provide experimental spectroscopic information about the structures of atomic clusters, and we show how density functional calculations can aid, in particular, the analysis of photodetachment measurements and provide interesting and unexpected results.
9#
發(fā)表于 2025-3-23 03:58:27 | 只看該作者
Quantum-mechanical interpretation of density functional theory,ensity. The second field, ., represents the correlation contribution to the kinetic energy, and is proportional to the difference of fields derived from the kinetic-energy-density tensor for the interacting and non-interacting systems. The field ?(.) is conservative, and thus the work done in this f
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發(fā)表于 2025-3-23 05:44:25 | 只看該作者
Density functional theory of clusters of nontransition metals using simple models,-electron cloud responds, executing collective oscillations against the ionic background. We also review the effect of impurities, as well as the effects of mixing and segregation in clusters formed by two or three different elements. Finally, clusters of noble metals are briefly discussed.
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