標題: Titlebook: Density Functional Theory I; Functionals and Effe R. F. Nalewajski Book 1996 Springer-Verlag Berlin Heidelberg 1996 Atom.Computer Chemie.De [打印本頁] 作者: Coolidge 時間: 2025-3-21 16:15
書目名稱Density Functional Theory I影響因子(影響力)
書目名稱Density Functional Theory I影響因子(影響力)學(xué)科排名
書目名稱Density Functional Theory I網(wǎng)絡(luò)公開度
書目名稱Density Functional Theory I網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Density Functional Theory I被引頻次
書目名稱Density Functional Theory I被引頻次學(xué)科排名
書目名稱Density Functional Theory I年度引用
書目名稱Density Functional Theory I年度引用學(xué)科排名
書目名稱Density Functional Theory I讀者反饋
書目名稱Density Functional Theory I讀者反饋學(xué)科排名
作者: Aerate 時間: 2025-3-21 20:17 作者: flammable 時間: 2025-3-22 01:01
https://doi.org/10.1057/9780230113473-correlation potential . . have been overviewed. The discussion has been focused on the most recent developments in the theory, such as the construction of . . from the correlated densities, the methods to obtain total energy and energy differences from the potential, and the orbital dependent appro作者: cortisol 時間: 2025-3-22 07:11 作者: GUILE 時間: 2025-3-22 09:07
Density Functional Theory I978-3-540-49945-9Series ISSN 0340-1022 Series E-ISSN 1436-5049 作者: 無關(guān)緊要 時間: 2025-3-22 14:12 作者: 無關(guān)緊要 時間: 2025-3-22 20:36 作者: murmur 時間: 2025-3-22 23:32
https://doi.org/10.1007/3-540-61091-XAtom; Computer Chemie; Density Functional Theory; Dichtefunktional-Theorie; atoms; computational chemistr作者: 影響帶來 時間: 2025-3-23 04:12
978-3-662-14834-1Springer-Verlag Berlin Heidelberg 1996作者: 2否定 時間: 2025-3-23 08:45 作者: 草率女 時間: 2025-3-23 11:46
https://doi.org/10.1057/9780230113473stent formulation of the discontinuous dependence of . . on the particle number and its effect on the spatial form of . . and charge transfer within the system have been presented. The recently developed direct approximations of the long- and short-range components of . . have been overviewed.作者: affect 時間: 2025-3-23 17:43 作者: 存在主義 時間: 2025-3-23 19:08
Exchange and correlation in density functional theory of atoms and molecules, corresponding potential for arbitrary mixed-state systems and approximation to the correlation energy and potential for a specific class of mixed-state systems are proposed. They are expressible in terms of any approximate functional of the density for the exchange energy and correlation energy, respectively, known for pure-state systems.作者: Statins 時間: 2025-3-23 22:47 作者: Confidential 時間: 2025-3-24 04:13
Local-scaling transformation version of density functional theory: Generation of density functionales. In addition, the explicit construction of analytic density functionals for the energy, via local-scaling transformations, is discussed and is exemplified for the particular case of the Hartree-Fock approximation for atoms. Finally, applications of local-scaling transformations to the direct solution of the Kohn-Sham equations are reviewed.作者: 腫塊 時間: 2025-3-24 09:31
Density functionals: Where do they come from, why do they work?,emistry. We show that local (LSD) and semi-local functionals work because they usefully model the exchange-correlation hole around an average electron, rather than by yielding accurate results at all electron positions. We discuss the system-averaged hole at small interelectronic separations, where 作者: 畢業(yè)典禮 時間: 2025-3-24 14:42
Exchange and correlation in density functional theory of atoms and molecules,initions compared. The ways of their determination and their long-range properties are discussed. General expressions for the exchange and correlation energy and the long-range asymptotic form of the exchange potential are obtained for mixed-state systems. Line-integral expressions for the exchange 作者: 輕打 時間: 2025-3-24 18:03
Analysis and modelling of atomic and molecular kohn-sham potentials,-correlation potential . . have been overviewed. The discussion has been focused on the most recent developments in the theory, such as the construction of . . from the correlated densities, the methods to obtain total energy and energy differences from the potential, and the orbital dependent appro作者: Facet-Joints 時間: 2025-3-24 21:12 作者: Incise 時間: 2025-3-25 01:01 作者: 斜谷 時間: 2025-3-25 03:56 作者: 碎片 時間: 2025-3-25 10:53
https://doi.org/10.1007/978-1-349-08356-5xtent of the hole. Decomposing the energy by coupling-constant and spin, we find that the deeper the on-top hole is, the smaller the error in the local approximation to the energy. We use this insight to demonstrate that Hartree-Fock hybrid functionals do not consistently improve on GGA. A different作者: 帶來墨水 時間: 2025-3-25 13:43
Elimination Methods for Spatial Synthesis problems are solved using multihomogeneous resultant theory. The other two problems are solved using elimination strategy to obtain a solution based on rank reduction of a rectangular matrix of the form (. — .). In the latter case, the appearance of linearly dependent equations during the eliminati作者: Epidural-Space 時間: 2025-3-25 19:42
A Topography of Labelled Modal Logics,two parts, a base logic and a labelling algebra, which interact through a fixed interface. The labelling algebra can be viewed as an independent parameter: the base logic stays fixed for a given class of related logics from which we can generate the one we want by plugging in the appropriate algebra作者: Legend 時間: 2025-3-25 22:53 作者: magnate 時間: 2025-3-26 02:34
Theatre and Human Rights in Africa: Historical and Literary Representations in South Africa,ous violations. Scholarly works have significantly explored the importance of theatre towards human empowerment, development and conscientisation. It is also worthy to note that since the turn of the last century, the world has seen in multiple ways, how practical drama has been adopted through dram作者: 內(nèi)行 時間: 2025-3-26 07:36 作者: SUE 時間: 2025-3-26 11:57
Getting Around Quicklyd computers. Often we learn or are taught on a need-to-know basis by friends or coworkers. It’s easy to feel intimidated when we watch others effortless perform tasks like clicking, dragging, copying, pasting, connecting, and printing.作者: Priapism 時間: 2025-3-26 16:22 作者: 能量守恒 時間: 2025-3-26 18:19 作者: 欲望 時間: 2025-3-26 21:10 作者: Bmd955 時間: 2025-3-27 01:18 作者: Chandelier 時間: 2025-3-27 06:30 作者: fender 時間: 2025-3-27 13:14
British Discovery Literature and the Rise of Global Commerce978-0-230-62922-6作者: Palliation 時間: 2025-3-27 17:18
Michael Patrick Cullinanework for post-silicon debugging and layout repair. The solutions provided in this book can greatly reduce debugging effort, enhance design quality, and ultimately enable the design and manufacture of more reliable electronic devices..978-90-481-8112-4978-1-4020-9365-4Series ISSN 1876-1100 Series E-ISSN 1876-1119 作者: 巫婆 時間: 2025-3-27 21:27
