Semi-Empirical Hartree-Fock Simulations
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R. I. Eglitis; R. I. Eglitis; A. V. Postnikov; G. Borstel
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Article
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1998
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John Wiley and Sons
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English
β 160 KB
As an extension of our previous study of a single Li impurity in KTaO 3 , we applied the semiempirical method of the intermediate neglect of differential overlap (INDO) based on the Hartree-Fock formalism for the study of interaction between Li impurities in KTaO 3 . The calculations have been done