diff --git a/src/5_atoms_and_lcao_solutions.md b/src/5_atoms_and_lcao_solutions.md index 063a1ce4479b395081a506484456b982f756dcb4..b442f0f3eb185f276f858cc82ebb6089d6fc0785 100644 --- a/src/5_atoms_and_lcao_solutions.md +++ b/src/5_atoms_and_lcao_solutions.md @@ -56,12 +56,18 @@ $$ 2. $$ - H_{eff} = \begin{pmatrix} + \hat{H} = \begin{pmatrix} + E_0 & -t\\ + -t & E_0 + \end{pmatrix} +\begin{pmatrix} + ⟨1|ex\mathcal{E}|1⟩ & ⟨2|ex\mathcal{E}|1⟩\\ + ⟨1|ex\mathcal{E}|2⟩ & ⟨2|ex\mathcal{E}|2⟩ + \end{pmatrix} = \begin{pmatrix} E_0 - \gamma & -t\\ -t & E_0 + \gamma - \end{pmatrix} + \end{pmatrix}, $$ -Where $\gamma = e d \mathcal{E}/2$ and where we have used that $$⟨1|H_{eff}|1⟩ = -e d \mathcal{E}/2⟨1|1⟩ = e d \mathcal{E}/2$$ +where $\gamma = e d \mathcal{E}/2$ and have used $$⟨1|ex\mathcal{E}|1⟩ = -e d \mathcal{E}/2⟨1|1⟩ = -e d \mathcal{E}/2$$ 3.