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单词 linear combination of atomic orbitals
释义 linear combination of atomic orbitals
[¦lin·ē·ǝr ´käm·bǝ¦nā·shǝn ǝv ǝ¦täm·ik `ȯrb·ǝd·ǝlz]
PHYSICS
A method of constructing approximate wave functions for molecular orbitals or for electrons in solids, by taking sums of atomic orbitals of the component atoms, each centered on an atom in the structure and multiplied by a coefficient, and then varying these coefficients to minimize the energy of the wave function. Abbreviated LCAO.
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