相持不下
发表于 2025-3-21 16:50:35
书目名称Many-Electron Densities and Reduced Density Matrices影响因子(影响力)<br> http://figure.impactfactor.cn/if/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices影响因子(影响力)学科排名<br> http://figure.impactfactor.cn/ifr/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices网络公开度<br> http://figure.impactfactor.cn/at/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices网络公开度学科排名<br> http://figure.impactfactor.cn/atr/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices被引频次<br> http://figure.impactfactor.cn/tc/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices被引频次学科排名<br> http://figure.impactfactor.cn/tcr/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices年度引用<br> http://figure.impactfactor.cn/ii/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices年度引用学科排名<br> http://figure.impactfactor.cn/iir/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices读者反馈<br> http://figure.impactfactor.cn/5y/?ISSN=BK0623692<br><br> <br><br>书目名称Many-Electron Densities and Reduced Density Matrices读者反馈学科排名<br> http://figure.impactfactor.cn/5yr/?ISSN=BK0623692<br><br> <br><br>
骚动
发表于 2025-3-21 20:44:34
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neutrophils
发表于 2025-3-22 02:59:28
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
单纯
发表于 2025-3-22 04:46:54
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Minikin
发表于 2025-3-22 11:17:13
Cumulants and the Contracted Schrödinger 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
AWRY
发表于 2025-3-22 14:59:14
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
慢慢啃
发表于 2025-3-22 20:11:36
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.
可互换
发表于 2025-3-23 00:24:15
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 [
有效
发表于 2025-3-23 02:05:06
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
SEED
发表于 2025-3-23 06:33:25
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