有节制
发表于 2025-3-25 04:16:04
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 ...(
多余
发表于 2025-3-25 08:04:24
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 . 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
低能儿
发表于 2025-3-25 14:01:50
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,
UTTER
发表于 2025-3-25 17:00:58
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fructose
发表于 2025-3-25 21:47:28
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MOAT
发表于 2025-3-26 03:55:36
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Aerate
发表于 2025-3-26 05:11:14
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
Intervention
发表于 2025-3-26 11:30:00
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 . 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
FLOUR
发表于 2025-3-26 15:44:58
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极少
发表于 2025-3-26 17:44:04
,Many-Body and Pseudo Møller-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