CAMP
发表于 2025-3-25 03:53:49
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nutrition
发表于 2025-3-25 08:33:38
Spin-Free Quantum Chemistry, have built up the total electronic wave function out of spatial functions and spin eigenfunctions in such a way that it satisfies the antisymmetry principle. So far we have used spin-free Hamiltonians and we observed that the final expressions of the expectation values of the Hamiltonian contain in
congenial
发表于 2025-3-25 13:11:12
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FOVEA
发表于 2025-3-25 17:38:55
Construction of Spin Eigenfunctions by the Projection Operator Method,ch-Gordan, or vector-coupling coefficients. In each case one can associate a definite spin coupling with the construction and it can be characterized by a certain diagram, or by a suitable symbol. The functions obtained in this way form an orthonormal system.
澄清
发表于 2025-3-25 20:57:00
Spin-Free Quantum Chemistry,inciple. So far we have used spin-free Hamiltonians and we observed that the final expressions of the expectation values of the Hamiltonian contain integrals of the Hamiltonian over the spatial functions and the matrix elements of permutations over the spin functions.
syring
发表于 2025-3-26 03:04:18
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无能的人
发表于 2025-3-26 07:05:02
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MOT
发表于 2025-3-26 11:30:49
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entrance
发表于 2025-3-26 12:39:16
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清晰
发表于 2025-3-26 20:51:25
Construction of Spin Eigenfunctions from the Products of Two-Electron Spin Eigenfunctions,ociated with inner shells, lone pairs, or chemical bonds occur as basic building blocks in the formation of a many-electron wave function. It is, therefore, important to construct a many-electron spin eigenfunction in such a way that pairs of electrons occur in a natural way.