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Entanglement as measure of electron–electron correlation in quantum chemistry calculations

Chemical Physics Letters, no. 1 (2005): 1-5

引用85|浏览25
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In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree–Fock limit energy and the exact solution of the nonrelativistic Schrödinger equation. With this definition, the electron correlation effects are not directly observable. In this report, we show that the entanglement can be used as an...更多

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