抄録
Numerous works based on molecular orbital method have been done on minerals in this one decade. These are categorized into main four fields ;(1) molecular mimicry of bond length and angle variations(2) construction of pairwise potential from calculated potential surface(3) mapping of electron density distribution(4) determination of atomic charges in minerals.In this paper these applications of molecular orbital method are reviewed with some examples. Finally, a recent development of new method, periodic Hartree-Fock method, is introduced with examples, which might become a powerful tool for mineralogy.
