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- W2023890932 abstract "Abstract A new minimal basis method for studying covalent molecules and solids is presented. Hybridization (such as p-d) effects are isolated and treated accurately through the sequential construction of phase- dependent chemical orbitals, thereby optimizing cancellation effects due to orthogonality. For covalent semiconductors, the method yields accurate results for both the valence and conduction band states and reveals fundamental trends in their p-d hybridization." @default.
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- W2023890932 date "1980-06-01" @default.
- W2023890932 modified "2023-10-18" @default.
- W2023890932 title "Cancellation effects in localized orbital theories" @default.
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- W2023890932 doi "https://doi.org/10.1016/0038-1098(80)90901-1" @default.
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