diff --git a/chap4/chap4.pdf b/chap4/chap4.pdf index 1abcdcf..4014811 100644 Binary files a/chap4/chap4.pdf and b/chap4/chap4.pdf differ diff --git a/chap4/chap4.tex b/chap4/chap4.tex index c374159..7da5b21 100644 --- a/chap4/chap4.tex +++ b/chap4/chap4.tex @@ -291,7 +291,7 @@ \subsection{Natural Orbitals and the 1-Particle Reduced DM} \begin{align} \gamma_{ji}^* &= \int\dd\vb{x}_1\dd\vb{x}'_1 \chi_j(\vb{x}_1) \gamma^*(\vb{x}_1,\vb{x}'_1) \chi_i^*(\vb{x}'_1) \notag\\ &= \int\dd\vb{x}'_1\dd\vb{x}_1 \chi_j(\vb{x}'_1) \gamma^*(\vb{x}'_1,\vb{x}_1) \chi_i^*(\vb{x}_1) \notag\\ -&= \int\dd\vb{x}'_1\dd\vb{x}_1 \chi_j(\vb{x}'_1) \gamma(\vb{x}'_1,\vb{x}_1) \chi_i^*(\vb{x}_1) \notag\\ +&= \int\dd\vb{x}'_1\dd\vb{x}_1 \chi_j(\vb{x}'_1) \gamma(\vb{x}_1,\vb{x}'_1) \chi_i^*(\vb{x}_1) \notag\\ &= \gamma_{ij} \end{align} $ \therefore \bm\gamma$ is Hermitian. @@ -300,7 +300,7 @@ \subsection{Natural Orbitals and the 1-Particle Reduced DM} \begin{align} \Braket{\Phi | \Phi} &= \dfrac{1}{N} \int\dd\vb{x}_1 \gamma(\vb{x}_1,\vb{x}_1) \notag\\ -&= \int\dd\vb{x}_1 \sum_{ij} \chi_i(\vb{x}_1) \gamma_{ij} \chi_j^*(\vb{x}_1) \notag\\ +&= \dfrac{1}{N} \int\dd\vb{x}_1 \sum_{ij} \chi_i(\vb{x}_1) \gamma_{ij} \chi_j^*(\vb{x}_1) \notag\\ &= \dfrac{1}{N} \sum_{ij} \qty[\int\dd\vb{x}_1 \chi_j^*(\vb{x}_1) \chi_i(\vb{x}_1)] \gamma_{ij} \notag\\ &= \dfrac{1}{N} \sum_{ij} \delta_{ji} \gamma_{ij} \notag\\ &= \dfrac{1}{N} \tr \bm\gamma