Browsing by Subject "Hartree–Fock"
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Browsing by Subject "Hartree–Fock"
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(2003)An ab initio Hartree–Fock study of spodumene structure has been performed, and the wave function was used for a topological analysis of the electron density. The three non-equivalent oxygen atoms (O1, O2 and O3) of spodumene ...
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