Self-Consistent Bond Orbitals in Tetrahedrally Coordinated Solids
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概要
- 論文の詳細を見る
A formalism for constructing bond orbitals in tetrahedrally coordinated solids is developed in a framework of the Hartree-Fock method. The concept of bond orbitals in the solid is studied and the equation the "self-consistent bond orbitals" satisfy is derived by analogy with the Adams-Gilbert equation. The present formulation is able to give a ground to discuss the validity of the conventional method where bond orbitals are expressed as linear combinations of bond hybrid atomic orbitals.
- 理論物理学刊行会の論文
- 1976-05-25
著者
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Kambara T
Graduate School Of Information Systems University Of Electro-communications:department Of Applied Ph
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Kambara Takeshi
Department Of Applied Physics And Chemistry University Of Electro-communications
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