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Understanding Density Matrices (eBook, PDF)

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In Understanding Density Matrices, the modulus and phase degrees-of-freedom of molecular states are examined, the relevant continuity relations are identified, and corresponding contributions to the resultant gradient information are summarized. The geometric and physical factors in contributions to the overall gradient information content in a quantum state are also identified. Following this, a formalism is presented for the one- and two-body density matrices in coordinate space and their Fourier transforms in momentum space of a non-relativistic, self-bound, finite-size quantum system. The ...

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