標(biāo)題: Titlebook: Quantal Density Functional Theory II; Approximation Method Viraht Sahni Book 2009 Springer-Verlag Berlin Heidelberg 2009 Atom.Atomic physic [打印本頁] 作者: ARGOT 時間: 2025-3-21 20:00
書目名稱Quantal Density Functional Theory II影響因子(影響力)
書目名稱Quantal Density Functional Theory II影響因子(影響力)學(xué)科排名
書目名稱Quantal Density Functional Theory II網(wǎng)絡(luò)公開度
書目名稱Quantal Density Functional Theory II網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Quantal Density Functional Theory II被引頻次
書目名稱Quantal Density Functional Theory II被引頻次學(xué)科排名
書目名稱Quantal Density Functional Theory II年度引用
書目名稱Quantal Density Functional Theory II年度引用學(xué)科排名
書目名稱Quantal Density Functional Theory II讀者反饋
書目名稱Quantal Density Functional Theory II讀者反饋學(xué)科排名
作者: 委托 時間: 2025-3-21 21:24 作者: chemical-peel 時間: 2025-3-22 00:38
Viraht Sahni is no dearth of books on ecology. Why write yet another? Each person is different, and each views the problems in a different way. Each emphasizes different aspects and describes them in a different style. When I was a student I often found certain books more helpful than others, and I still think 作者: 含糊其辭 時間: 2025-3-22 05:00
Viraht Sahni is no dearth of books on ecology. Why write yet another? Each person is different, and each views the problems in a different way. Each emphasizes different aspects and describes them in a different style. When I was a student I often found certain books more helpful than others, and I still think 作者: 替代品 時間: 2025-3-22 08:43 作者: 膽小懦夫 時間: 2025-3-22 16:09 作者: Obstacle 時間: 2025-3-22 18:58
Viraht Sahniept of ecology itself and adds much to the historical and philosophical debate over this multifaceted discipline. The text provides readers with an overview of the theoretical, institutional and historical formation of ecological knowledge. The varied local conditions of early ecology are considered作者: lethal 時間: 2025-3-22 23:55 作者: amorphous 時間: 2025-3-23 05:11
Viraht Sahniabsolute limits must be avoided (buffer principle), that people should seek contentment and not selfish gain (contentment principle), that people should seek biosphoic integrity rather than self-interest (priority principle) and that people should not fail to act on what they know is right (praxis p作者: 高原 時間: 2025-3-23 07:43 作者: AMPLE 時間: 2025-3-23 11:25
Viraht Sahni complicated situations. Furthermore, precisely defined terms are usually associated with detailed quantitative descriptions, whereas we are concerned with a general understanding of the dynamics of ecology. For similar reasons I have tried to rely as little as possible on mathematical discussions. 作者: STALL 時間: 2025-3-23 14:11 作者: 報復(fù) 時間: 2025-3-23 20:27
Viraht Sahni...The study of ‘ecological’ phenomena has never been confined solely to the work of researchers who consider themselves ecologists. It is rather a field of knowledge in which a plurality of practices, concepts and theories are developed. Thus, there exist numerous disciplinary subdivisions and rese作者: Adenoma 時間: 2025-3-24 01:48 作者: Gyrate 時間: 2025-3-24 05:05
,Schr?dinger Theory from a “Newtonian” Perspective,rators. As the model system is in effect a representation of the interacting system, it is best to first describe Schr?dinger theory [2] from the same “Newtonian” perspective of “classical” fields and quantal sources [3, 4]. This perspective of Schr?dinger theory is new. To quote from Einstein and I作者: 符合國情 時間: 2025-3-24 08:19 作者: 啟發(fā) 時間: 2025-3-24 14:36
,New Perspectives on Hohenberg–Kohn–Sham Density Functional Theory,m theory as derived originally, we refer the reader to the literature [1, 2] or to Chap. 4 of . [4]. There are, in addition, numerous excellent texts on the subject [6–9] with different emphases in which the precursory material is also described. There are also many books with reviews and articles o作者: Endoscope 時間: 2025-3-24 16:02
Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional Theted to constructing . systems only in a . state. One can equally well construct . systems in an . state such that the ground state density .(.), energy E, and ionization potential I of the interacting system are reproduced [3, 4]. The state of the model . system is .. This means that there exist, in作者: 傷心 時間: 2025-3-24 22:09
, Approximations Within Quantal Density Functional Theory,ration in the wave function. Hence, Hartree theory is said to be an . approximation. The best orbitals for this product wave function in terms of the energy, are then obtained by application of the variational principle for the energy [3] leading to the Hartree equations. The energy obtained is then作者: 里程碑 時間: 2025-3-25 00:45 作者: 有節(jié)制 時間: 2025-3-25 04:16
Analytical Asymptotic Structure At and Near the Nucleus of Atoms,m, there is a corresponding effective electron-interaction potential energy ...(.) of the . system. This potential energy accounts for Pauli and Coulomb correlation, and Correlation–Kinetic effects due to the difference in kinetic energy of the . and . systems.We prove that the potential energy ...(作者: 多余 時間: 2025-3-25 08:04
Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms,he Q-DFT Hartree Uncorrelated Approximation to determine the ground state electronic structure of atoms [4,5]. The self-consistently determined results are thus for atoms constructed of . with . potential energy of .(.) = ?./.. (Note that the local effective potential energy ..(.) of these particles作者: 低能兒 時間: 2025-3-25 14:01
Application of the Q-DFT Pauli Correlated Approximation to Atoms and Negative Ions, and Correlation-Kinetic effects are once again ignored. The fact that Coulomb correlations are not considered is of course evident as the choice of the approximate wave function is a Slater determinant. Note, however, that the contributions of Correlation-Kinetic effects to (1) the kinetic energy, 作者: UTTER 時間: 2025-3-25 17:00 作者: fructose 時間: 2025-3-25 21:47 作者: MOAT 時間: 2025-3-26 03:55 作者: Aerate 時間: 2025-3-26 05:11
Application of the Q-DFT Fully Correlated Approximation to the Helium Atom, the . of Sect. 6.3.1, and then to incorporate the Correlation-Kinetic effects as in the . of Sect. 6.3.2. Such a study to separately examine the effects of Coulomb correlations and Correlation-Kinetic contributions employing approximate wave function functionals which are determined fully self-cons作者: Intervention 時間: 2025-3-26 11:30
Application of the Q-DFT Fully Correlated Approximation to the Hydrogen Molecule,, for our approximate ground state wave function ..(.), we employ the accurate correlated wave function of Kolos and Roothaan [2]. Also, as the spins of the two model fermions are opposite, the single-particle molecular orbitals of the . system are known exactly in terms of the density, and therefor作者: FLOUR 時間: 2025-3-26 15:44 作者: 極少 時間: 2025-3-26 17:44
,Many-Body and Pseudo M?ller-Plesset Perturbation Theory within Quantal Density Functional Theory,-Kinetic contributions can then be . and . determined to any order. It turns out that the Q-DFT perturbation theory limited to lowest order is equivalent to the . Q-DFT Pauli Approximation (Sect. 6.2.1), thereby providing a formal justification for the latter. Including the perturbation series for C作者: 牛的細(xì)微差別 時間: 2025-3-26 23:22 作者: 陰郁 時間: 2025-3-27 04:24
Book 2009ions. One signi?cant advantage of this, as it turns out, is that I have been able to incorporate in each volume the most recent understandings available. This volume, like the earlier one, is aimed at advanced undergraduates in physics and chemistry, graduate students and researchers in the ?eld. It作者: Emmenagogue 時間: 2025-3-27 06:15
signi?cant advantage of this, as it turns out, is that I have been able to incorporate in each volume the most recent understandings available. This volume, like the earlier one, is aimed at advanced undergraduates in physics and chemistry, graduate students and researchers in the ?eld. It978-3-642-42541-7978-3-540-92229-2作者: Supplement 時間: 2025-3-27 10:07 作者: micronutrients 時間: 2025-3-27 17:38 作者: 含糊其辭 時間: 2025-3-27 20:45
http://image.papertrans.cn/q/image/780651.jpg作者: Commission 時間: 2025-3-27 23:25
https://doi.org/10.1007/978-3-540-92229-2Atom; Atomic physics; Condensed matter physics; Density functional theory; Molecular physics; Quantum phy作者: 混雜人 時間: 2025-3-28 05:14
Viraht SahniUnique up-to-date book on the quantal density functional theory, the topic of the Nobel-prize-winning research work of Walter Kohn作者: 星星 時間: 2025-3-28 06:38 作者: 臭了生氣 時間: 2025-3-28 12:49
Book 2009ossible, describing the basic theory as well as the approximation methods and a host of applications. However,after workingon the bookforabout ?ve years, I realizedthat the goal was too ambitious, and that I would be writing for another ?ve years for it to be achieved. Fortunately,there was a natura作者: RECUR 時間: 2025-3-28 17:35
Application of the Irrotational Component Approximation to Nonspherical Density Atoms,sphericalized by ensemble averaging the different orientations (see e.g. Appendix D). Thus, in order that these atoms be represented in a more physically correct manner, and thereby obtain their properties more accurately, the nonsphericity of the density must be taken into account [1, 2].作者: apropos 時間: 2025-3-28 19:58
Introduction,ntal density functional theory (Q-DFT) is the description [1–8] of a quantum-mechanical system of electrons in terms of . and their . within the framework of . theory. The theory is based on a similar description of Schr?dinger theory in terms of quantal sources and fields [1, 9, 10]. This “classica作者: 金絲雀 時間: 2025-3-29 01:59 作者: overhaul 時間: 2025-3-29 06:14
Quantal Density Functional Theory, one of . with equivalent density .(.). The existence of such a model system is an .. From the model system, it is then possible to obtain the energy . of the interacting system as well as its first ionization potential . (or electron affinity .). As the fermions of the model system are noninteracti作者: CLOWN 時間: 2025-3-29 07:50 作者: HILAR 時間: 2025-3-29 14:49
Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional The..(.), or equivalently of the electron-interaction potential energy function ..(.) of the model . system of noninteracting fermions. . ground state KS-DFT maps an interacting system in its . state to an . system that is also in its . state. As the density .(.) of the interacting and noninteracting f作者: 墊子 時間: 2025-3-29 18:12
, Approximations Within Quantal Density Functional Theory,le, in the Hartree approximation [1] (see also .), one chooses a wave function that is a product of single-particle spin-orbitals. The Hartree wave function does not obey the Pauli exclusion principle, as it is not antisymmetric in an interchange of the coordinates of the electrons including its spi作者: DEVIL 時間: 2025-3-29 22:51
Analytical Asymptotic Structure in the Classically Forbidden Region of Atoms,sult that is rigorous; (b) the derivation can lead to physical insights; (c) it obviates the need for numerical work in those regions of space where the analytical results are valid; (d) the analytical results help in confirming the correctness of the numerical component of the calculation by the re作者: Integrate 時間: 2025-3-30 00:16 作者: exostosis 時間: 2025-3-30 04:14
Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms,alent density .(.) and energy . are obtained. For this mapping, the corresponding expressions for the local electron-interaction potential energy . of the model fermions, and the energy ., contain Correlation-Kinetic components. If the model system is constructed with the Correlation-Kinetic contrib作者: opalescence 時間: 2025-3-30 10:29 作者: Tinea-Capitis 時間: 2025-3-30 13:55
Quantal Density Functional Theory of the Density Amplitude: Application to Atoms,ne of a model system of . – the . system – with equivalent density .(.). Thus, via Q-DFT, an interacting system in a . or . state can be mapped into a model . system whose density is the same. The state of the . system is ., in that it could be in a . or . state (see Chap. 5). For an interacting sys作者: 輕推 時間: 2025-3-30 19:26
Application of the Irrotational Component Approximation to Nonspherical Density Atoms,degenerate sublevels. However, in most calculations of atomic structure, such atoms are treated in the central field modelwherein their densities are sphericalized by ensemble averaging the different orientations (see e.g. Appendix D). Thus, in order that these atoms be represented in a more physica作者: BARK 時間: 2025-3-31 00:13
Application of Q-DFT to Atoms in Excited States, Q-DFT mapping from an interacting system of electrons to a model . system of noninteracting fermions with equivalent density, is . in that it is the . for both the . and . states of the real system. Hence, all the equations governing Q-DFT and consequently all the approximation schemes, are equally作者: Indebted 時間: 2025-3-31 01:26 作者: 尖酸一點 時間: 2025-3-31 07:20 作者: Gastric 時間: 2025-3-31 09:41
Application of the Q-DFT Fully Correlated Approximation to the Hydrogen Molecule,udy the properties of this molecule from the perspective of Q-DFT, i.e. from the view point of the representation of all different electron correlations present in terms of the corresponding quantal sources, and of the resulting fields, potential energies and total energy components.We apply [1] the作者: Wallow 時間: 2025-3-31 15:01 作者: IOTA 時間: 2025-3-31 21:35 作者: ACME 時間: 2025-3-31 23:12 作者: Paleontology 時間: 2025-4-1 02:02 作者: 慟哭 時間: 2025-4-1 09:36
A Decision Modeling Study with Fuzzy Cognitive Mapping Method on Customers’ Brand Preferences Criteria in Telecommunications Industryost crucial customer expectations for telecommunications sector. In addition, FCM can be used in other sectors where customer expectations are very important and decisive, to prioritize customer brand preference criteria and to guide businesses.作者: FOLLY 時間: 2025-4-1 13:25
Catherine Shih,Giselle Bricault,Jennifer Carr,Pauline Isbell,Michael Williams,Mary Jane Robbins,Alic作者: 消音器 時間: 2025-4-1 15:14 作者: jarring 時間: 2025-4-1 20:40
