標(biāo)題: Titlebook: Many-Electron Densities and Reduced Density Matrices; Jerzy Cioslowski Book 2000 Springer Science+Business Media New York 2000 Atom.Schr?d [打印本頁] 作者: 相持不下 時間: 2025-3-21 16:50
書目名稱Many-Electron Densities and Reduced Density Matrices影響因子(影響力)
書目名稱Many-Electron Densities and Reduced Density Matrices影響因子(影響力)學(xué)科排名
書目名稱Many-Electron Densities and Reduced Density Matrices網(wǎng)絡(luò)公開度
書目名稱Many-Electron Densities and Reduced Density Matrices網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Many-Electron Densities and Reduced Density Matrices被引頻次
書目名稱Many-Electron Densities and Reduced Density Matrices被引頻次學(xué)科排名
書目名稱Many-Electron Densities and Reduced Density Matrices年度引用
書目名稱Many-Electron Densities and Reduced Density Matrices年度引用學(xué)科排名
書目名稱Many-Electron Densities and Reduced Density Matrices讀者反饋
書目名稱Many-Electron Densities and Reduced Density Matrices讀者反饋學(xué)科排名
作者: 騷動 時間: 2025-3-21 20:44 作者: neutrophils 時間: 2025-3-22 02:59
Density Equation Theory in Chemical Physics.,σ.) is used here and in the following]. The SE is a determinative equation of the wave function ψ and the Pauli principle imposes an anti-symmetric constraint on ψ The wave function depends on all the N electron coordinates of the system, while the Hamiltonian, is the sum of the one- and two-elect作者: 單純 時間: 2025-3-22 04:46 作者: Minikin 時間: 2025-3-22 11:17
Cumulants and the Contracted Schr?dinger Equationt observables. Because the interactions between electrons are pairwise within the Hamiltonian, the energy may be determined exactly through a knowledge of the two-particle reduced density matrix (2-RDM) [., .]. Unlike the unknown dependence of the energy on the one-particle density in density functi作者: AWRY 時間: 2025-3-22 14:59
Natural Orbital Functional Theoryion of electronic correlation. The most accurate methods available today, e.g. the configuration interaction (CI) method [.] or the coupled cluster (CC) method [.], are computationally too expensive to be applied to large systems. Quantum Monte Carlo approaches [.] require considerable human input a作者: 慢慢啃 時間: 2025-3-22 20:11
The Pair Density in Approximate Density Functionals: The Hidden Agentshown to lead naturally to the local density approximation for exchange and correlation. The rigorous basis for this approach is exact density functional theory [., .–.]. We review recent advances from a pair density perspective.作者: 可互換 時間: 2025-3-23 00:24
Functional N-representability in Density Matrix and Density Functional Theory: An Illustration for Hrators) [.–.]. The cases for p = 1 and p = 2 corresponding to the reduced 1- and 2-matrices, respectively, have been of particular importance in this theory. The latter still lacks a complete solution, although much progress has been accomplished in setting up several N-representability conditions [作者: 有效 時間: 2025-3-23 02:05
Intracule and Extracule Densities: Historical Perspectives and Future Prospectsmputer codes that constitute contemporary electronic structure methods. The earliest studies of electron-pair densities focused on the relative motion of two electrons and aimed at gaining insights into the physical consequences of electron correlation. More recently, the balance has shifted in the 作者: SEED 時間: 2025-3-23 06:33
Topology of Electron Correlationber and the location of critical points (the points at which the gradient of a function vanishes), and their mutual relationships are often directly related to the properties of the system under study. For example, topological analysis of the potential energy as a function of nuclear positions permi作者: 使熄滅 時間: 2025-3-23 13:28
Electron-Pair Densities of AtomsEven when the time evolution is not concerned, an N-electron wave function Ψ(..,…,..) involves the 3N spatial coordinates .. and the N spin coordinates σ. of the electrons, where .. ≡ (r.,σ.) is the combined position-spin coordinates of the electron k. Clearly, the interpretation and analysis of suc作者: RAFF 時間: 2025-3-23 17:45 作者: OTTER 時間: 2025-3-23 19:59
Functional N-representability in Density Matrix and Density Functional Theory: An Illustration for Htheory. The latter still lacks a complete solution, although much progress has been accomplished in setting up several N-representability conditions [.–.] and in developing alternative approaches to this problem [.]. The former has been solved for the case of ensembles [.] but still remains unsolved for pure states [.].作者: 摻和 時間: 2025-3-24 01:52
Intracule and Extracule Densities: Historical Perspectives and Future Prospects of two electrons and aimed at gaining insights into the physical consequences of electron correlation. More recently, the balance has shifted in the direction of using information from electron-pair densities to develop faster computational methods for high-level, many-electron calculations.作者: 燒烤 時間: 2025-3-24 02:43 作者: Pituitary-Gland 時間: 2025-3-24 07:05 作者: 鬧劇 時間: 2025-3-24 12:02 作者: tooth-decay 時間: 2025-3-24 18:28 作者: larder 時間: 2025-3-24 22:37 作者: 桉樹 時間: 2025-3-25 00:25 作者: medium 時間: 2025-3-25 03:27 作者: septicemia 時間: 2025-3-25 08:26
The Pair Density in Approximate Density Functionals: The Hidden Agentshown to lead naturally to the local density approximation for exchange and correlation. The rigorous basis for this approach is exact density functional theory [., .–.]. We review recent advances from a pair density perspective.作者: 蒙太奇 時間: 2025-3-25 14:52
Mathematical and Computational Chemistryhttp://image.papertrans.cn/m/image/623692.jpg作者: ULCER 時間: 2025-3-25 16:57
978-1-4613-6890-8Springer Science+Business Media New York 2000作者: Oafishness 時間: 2025-3-25 23:01
Many-Electron Densities and Reduced Density Matrices978-1-4615-4211-7Series ISSN 1568-217X 作者: 騷擾 時間: 2025-3-26 03:44
https://doi.org/10.1007/978-1-4615-4211-7Atom; Schr?dinger equation; chemical physics; density; density functional theory; development; electron; il作者: Halfhearted 時間: 2025-3-26 05:05
Many-Electron Densities and Reduced Density Matrices作者: POINT 時間: 2025-3-26 09:32 作者: 褻瀆 時間: 2025-3-26 15:26
Cumulants and the Contracted Schr?dinger Equationility problem [., .]. Recent theoretical and computational results with the contracted Schr?dinger equation (CSE), also known as the density equation, indicate that the CSE offers an accurate, versatile method for generating the 2-RDM without the wave function [.–.]. In the present article we will r作者: 獨裁政府 時間: 2025-3-26 19:55 作者: 歪曲道理 時間: 2025-3-26 21:14 作者: 休戰(zhàn) 時間: 2025-3-27 01:29
Book 2000he configuration interaction method and in rigorous analysis of electronic wavefunctions, and al- lowing direct calculations of ionization potentials through the extended Koopmans‘theorem. The recent research of Nakatsuji, Valdemoro, and Mazziotti her- alds a renaissance of the concept of RDlvls tha作者: Mammal 時間: 2025-3-27 06:53
1568-217X otentials through the extended Koopmans‘theorem. The recent research of Nakatsuji, Valdemoro, and Mazziotti her- alds a renaissance of the concept of RDlvls tha978-1-4613-6890-8978-1-4615-4211-7Series ISSN 1568-217X 作者: 制定法律 時間: 2025-3-27 13:04
6樓作者: Outwit 時間: 2025-3-27 17:37
6樓作者: 基因組 時間: 2025-3-27 21:06
6樓作者: EXALT 時間: 2025-3-28 00:56
6樓作者: STEER 時間: 2025-3-28 04:30
7樓作者: countenance 時間: 2025-3-28 07:29
7樓作者: 意見一致 時間: 2025-3-28 11:46
7樓作者: mitral-valve 時間: 2025-3-28 16:52
7樓作者: Indicative 時間: 2025-3-28 20:28
8樓作者: opprobrious 時間: 2025-3-29 01:21
8樓作者: Seizure 時間: 2025-3-29 05:28
8樓作者: INCUR 時間: 2025-3-29 08:41
8樓作者: sorbitol 時間: 2025-3-29 12:01
9樓作者: B-cell 時間: 2025-3-29 15:59
9樓作者: 變色龍 時間: 2025-3-29 22:00
9樓作者: 歌劇等 時間: 2025-3-30 00:01
9樓作者: Antigen 時間: 2025-3-30 07:18
10樓作者: 制定 時間: 2025-3-30 08:29
10樓作者: Saline 時間: 2025-3-30 12:26
10樓作者: 分發(fā) 時間: 2025-3-30 17:49
10樓
