Transcription of 5.4 紧束缚模型 (tight-binding model) - USTC
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5.4 紧束缚模型 (tight-binding model) - USTC
(tight- binding model).. p189.. p75.. xB.. xC. xs=a(xB+xC).. xs2.. xA=a(xB-xC). xA2.. - Linear combination of atomic orbitals (LCAO).. 2 2. H i [ VAi VBi ] i i i 2m . i Ci A (ri ) i B (ri ) . 1. H dr *. 2C 2 ( H aa H ab ). C ( A B ). dr *. C ( A B ). H dr *. 2C 2 ( H aa H abb ). dr *. H dr *. 2C 2 ( H aa H ab ) .. *. d dr Bonding orbital H dr *. 2C 2 ( H aa H ab ) .. *. dr Anti-bonding orbital H aa *A H A dr B* H B dr 0. H ab *A H B dr 0. H ab .. LCAO . tight- binding ) . Slater Gaussian . Slater .. Splitting of 1s State of Six Atoms Splitting of Atomic Levels in Sodium Tight- binding Na.
5.4 紧束缚模型(tight-binding model) 一、定性说明 二、微扰计算 三、具体例子 参考：黄昆书4.5节p189 阎守胜书3.3节p75
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