The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom

March NH.; Klein DJ.; Amovilli C.

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The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom

机译：反平行自旋电子重合时的波函数及其与Hookean原子中基态电子密度的关系

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For a specific force constant, the spatial form of the ground-state wavefunction Psi(r(1),r(2)) is known analytically for the Hookean atom in which two electrons repel coulombically. Hen, it is first shown that the wavefunction Psi(r,r) for the antiparallel spin electrons at the same position r is sufficient to construct the ground-state density in this model example. An off-diagonal generalization is then effected, which relates the one-particle density matrix to the electron pair correlation function, again for this same model. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 8]

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《Chemical Physics Letters》 |2000年第6期|共3页
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March NH.; Klein DJ.; Amovilli C.;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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Matrices;

机译：矩阵;

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专利

1. The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom [J] . N.H.March, C.Amovilli, D.J.Klein Chemical Physics Letters . 2000,第5a6期

机译：反平行自旋电子重合时的波函数及其与Hookean原子中基态电子密度的关系
2. Differential equation for the ground-state electron density in a Hookean atom with two electrons repelling coulombically [J] . March NH., Nagy A., Gal T. Chemical Physics Letters . 1998,第4a6期

机译：具有两个电子库仑排斥的Hookean原子中基态电子密度的微分方程
3. Equation of motion of the correlated first-order density matrix for the ground-state of the Hookean atom with two electrons [J] . N. H. March, G. G. N. Angilella, R. Pucci Journal of Mathematical Chemistry . 2012,第4期

机译：具有两个电子的Hookean原子基态的相关一阶密度矩阵的运动方程
4. All-Electron Wavefunction of Electron Transfer Protein Cytochrome c by Density Functional Theory [C] . Fumitoshi Sato, Tamotsu Yoshihiro, Makoto Era The Meeting of the Electrochemical Society . 2001

机译：电子转移蛋白质细胞色素C的全电子浪潮通过密度函数理论
5. Measurements of metastable atom density using energies and densities of energetic “fast” electrons detected in the electron energy distribution function associated with the afterglow plasma produced by a radio frequency inductively coupled plasma helium discharge [D] . Blessington, Jon C. 2007

机译：使用能量和高能“快速”电子的密度测量亚稳态原子密度，电子能量分布函数中检测到与射频感应耦合等离子体氦放电产生的余辉等离子体相关的电子能量分布函数
6. Effect of basis set on electron populations calculated by using Baders criterion for partitioning electron density between atoms [O] . Kenneth B. Wiberg, John J. Wendoloski 1981

机译：基集对通过使用Bader准则分配原子间电子密度的电子种群的影响
7. Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom [O] . Jerzy Cioslowski 2015

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The wavefunction when antiparallel spin electrons coincide and its relation to the ground-state electron density in the Hookean atom

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