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A more accurate MO calculation for LiH

MO calculations leading to a full description of the LiH molecule requires the use of an electronic computer. The programs for such calculations are, however, commercially available. [Pg.122]

Starting with abasis consisting of 15-, 2smd2pa atomic orbitals on Li ( i, I 2 and 3) and the li orbital on the H atom ( 4), we form two molecular orbitals by linear combinations  [Pg.122]


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