Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
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منابع مشابه
The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character.
The Fukui matrix is introduced as the derivative of the one-electron reduced density matrix with respect to a change in the number of electrons under constant external potential. The Fukui matrix extends the Fukui function concept: the diagonal of the Fukui matrix is the Fukui function. Diagonalizing the Fukui matrix gives a set of eigenvectors, the Fukui orbitals, and accompanying eigenvalues....
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