update week 39

ManyBodyPhysics · Sep 25, 2024 · 3fbf760 · 3fbf760
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diff --git a/doc/pub/week39/html/week39-bs.html b/doc/pub/week39/html/week39-bs.html
@@ -133,11 +133,8 @@
                None,
                'definition-of-the-correlation-energy'),
               ('Ground state energy', 2, None, 'ground-state-energy'),
-              ('Why Hartree-Fock? Derivation of Hartree-Fock equations in '
-               'coordinate space',
-               2,
-               None,
-               'why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space'),
+              ('Why Hartree-Fock?', 2, None, 'why-hartree-fock'),
+              ('Why Hartree-Fock?', 2, None, 'why-hartree-fock'),
               ('Why Hartree-Fock theory', 2, None, 'why-hartree-fock-theory'),
               ('Why Hartree-Fock theory', 2, None, 'why-hartree-fock-theory'),
               ('Variational Calculus and Lagrangian Multipliers',
@@ -394,7 +391,8 @@
      <!-- navigation toc: --> <li><a href="#summarizing-fci-and-bringing-in-approximative-methods" style="font-size: 80%;">Summarizing FCI and bringing in approximative methods</a></li>
      <!-- navigation toc: --> <li><a href="#definition-of-the-correlation-energy" style="font-size: 80%;">Definition of the correlation energy</a></li>
      <!-- navigation toc: --> <li><a href="#ground-state-energy" style="font-size: 80%;">Ground state energy</a></li>
-     <!-- navigation toc: --> <li><a href="#why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space" style="font-size: 80%;">Why Hartree-Fock? Derivation of Hartree-Fock equations in coordinate space</a></li>
+     <!-- navigation toc: --> <li><a href="#why-hartree-fock" style="font-size: 80%;">Why Hartree-Fock?</a></li>
+     <!-- navigation toc: --> <li><a href="#why-hartree-fock" style="font-size: 80%;">Why Hartree-Fock?</a></li>
      <!-- navigation toc: --> <li><a href="#why-hartree-fock-theory" style="font-size: 80%;">Why Hartree-Fock theory</a></li>
      <!-- navigation toc: --> <li><a href="#why-hartree-fock-theory" style="font-size: 80%;">Why Hartree-Fock theory</a></li>
      <!-- navigation toc: --> <li><a href="#variational-calculus-and-lagrangian-multipliers" style="font-size: 80%;">Variational Calculus and Lagrangian Multipliers</a></li>
@@ -918,7 +916,7 @@ <h2 id="ground-state-energy" class="anchor">Ground state energy </h2>
 
 
 <!-- !split -->
-<h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space" class="anchor">Why Hartree-Fock? Derivation of Hartree-Fock equations in coordinate space </h2>
+<h2 id="why-hartree-fock" class="anchor">Why Hartree-Fock? </h2>
 
 <p>Hartree-Fock (HF) theory is an algorithm for finding an approximative expression for the ground state of a given Hamiltonian. The basic ingredients are</p>
 <ul>
@@ -933,17 +931,21 @@ <h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-spac
 \hat{h}^{\mathrm{HF}}=\hat{t}+\hat{u}_{\mathrm{ext}}+\hat{u}^{\mathrm{HF}}
 $$
 
-<ul>
-  <li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
-  <li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
-</ul>
+
+<!-- !split -->
+<h2 id="why-hartree-fock" class="anchor">Why Hartree-Fock? </h2>
+
+<ol>
+<li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
+<li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
+</ol>
 $$ \langle \hat{H} \rangle = E^{\mathrm{HF}}= \langle \Phi_0 | \hat{H}|\Phi_0 \rangle
 $$
 
 <p>that is to find a local minimum with a Slater determinant \( \Phi_0 \) being the ansatz for the ground state. </p>
-<ul>
-  <li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
-</ul>
+<ol>
+<li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
+</ol>
 <!-- !split -->
 <h2 id="why-hartree-fock-theory" class="anchor">Why Hartree-Fock theory  </h2>
 

diff --git a/doc/pub/week39/html/week39-reveal.html b/doc/pub/week39/html/week39-reveal.html
@@ -727,7 +727,7 @@ <h2 id="ground-state-energy">Ground state energy </h2>
 </section>
 
 <section>
-<h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space">Why Hartree-Fock? Derivation of Hartree-Fock equations in coordinate space </h2>
+<h2 id="why-hartree-fock">Why Hartree-Fock? </h2>
 
 <p>Hartree-Fock (HF) theory is an algorithm for finding an approximative expression for the ground state of a given Hamiltonian. The basic ingredients are</p>
 <ul>
@@ -747,24 +747,25 @@ <h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-spac
 \hat{h}^{\mathrm{HF}}=\hat{t}+\hat{u}_{\mathrm{ext}}+\hat{u}^{\mathrm{HF}}
 $$
 <p>&nbsp;<br>
+</section>
 
-<ul>
+<section>
+<h2 id="why-hartree-fock">Why Hartree-Fock? </h2>
 
+<ol>
 <p><li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
-
 <p><li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
-</ul>
+</ol>
 <p>
 <p>&nbsp;<br>
 $$ \langle \hat{H} \rangle = E^{\mathrm{HF}}= \langle \Phi_0 | \hat{H}|\Phi_0 \rangle
 $$
 <p>&nbsp;<br>
 
 <p>that is to find a local minimum with a Slater determinant \( \Phi_0 \) being the ansatz for the ground state. </p>
-<ul>
-
+<ol>
 <p><li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
-</ul>
+</ol>
 </section>
 
 <section>

diff --git a/doc/pub/week39/html/week39-solarized.html b/doc/pub/week39/html/week39-solarized.html
@@ -160,11 +160,8 @@
                None,
                'definition-of-the-correlation-energy'),
               ('Ground state energy', 2, None, 'ground-state-energy'),
-              ('Why Hartree-Fock? Derivation of Hartree-Fock equations in '
-               'coordinate space',
-               2,
-               None,
-               'why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space'),
+              ('Why Hartree-Fock?', 2, None, 'why-hartree-fock'),
+              ('Why Hartree-Fock?', 2, None, 'why-hartree-fock'),
               ('Why Hartree-Fock theory', 2, None, 'why-hartree-fock-theory'),
               ('Why Hartree-Fock theory', 2, None, 'why-hartree-fock-theory'),
               ('Variational Calculus and Lagrangian Multipliers',
@@ -835,7 +832,7 @@ <h2 id="ground-state-energy">Ground state energy </h2>
 
 
 <!-- !split --><br><br><br><br><br><br><br><br><br><br>
-<h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space">Why Hartree-Fock? Derivation of Hartree-Fock equations in coordinate space </h2>
+<h2 id="why-hartree-fock">Why Hartree-Fock? </h2>
 
 <p>Hartree-Fock (HF) theory is an algorithm for finding an approximative expression for the ground state of a given Hamiltonian. The basic ingredients are</p>
 <ul>
@@ -850,17 +847,21 @@ <h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-spac
 \hat{h}^{\mathrm{HF}}=\hat{t}+\hat{u}_{\mathrm{ext}}+\hat{u}^{\mathrm{HF}}
 $$
 
-<ul>
-  <li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
-  <li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
-</ul>
+
+<!-- !split --><br><br><br><br><br><br><br><br><br><br>
+<h2 id="why-hartree-fock">Why Hartree-Fock? </h2>
+
+<ol>
+<li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
+<li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
+</ol>
 $$ \langle \hat{H} \rangle = E^{\mathrm{HF}}= \langle \Phi_0 | \hat{H}|\Phi_0 \rangle
 $$
 
 <p>that is to find a local minimum with a Slater determinant \( \Phi_0 \) being the ansatz for the ground state. </p>
-<ul>
-  <li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
-</ul>
+<ol>
+<li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
+</ol>
 <!-- !split --><br><br><br><br><br><br><br><br><br><br>
 <h2 id="why-hartree-fock-theory">Why Hartree-Fock theory  </h2>
 

diff --git a/doc/pub/week39/html/week39.html b/doc/pub/week39/html/week39.html
@@ -237,11 +237,8 @@
                None,
                'definition-of-the-correlation-energy'),
               ('Ground state energy', 2, None, 'ground-state-energy'),
-              ('Why Hartree-Fock? Derivation of Hartree-Fock equations in '
-               'coordinate space',
-               2,
-               None,
-               'why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space'),
+              ('Why Hartree-Fock?', 2, None, 'why-hartree-fock'),
+              ('Why Hartree-Fock?', 2, None, 'why-hartree-fock'),
               ('Why Hartree-Fock theory', 2, None, 'why-hartree-fock-theory'),
               ('Why Hartree-Fock theory', 2, None, 'why-hartree-fock-theory'),
               ('Variational Calculus and Lagrangian Multipliers',
@@ -912,7 +909,7 @@ <h2 id="ground-state-energy">Ground state energy </h2>
 
 
 <!-- !split --><br><br><br><br><br><br><br><br><br><br>
-<h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-space">Why Hartree-Fock? Derivation of Hartree-Fock equations in coordinate space </h2>
+<h2 id="why-hartree-fock">Why Hartree-Fock? </h2>
 
 <p>Hartree-Fock (HF) theory is an algorithm for finding an approximative expression for the ground state of a given Hamiltonian. The basic ingredients are</p>
 <ul>
@@ -927,17 +924,21 @@ <h2 id="why-hartree-fock-derivation-of-hartree-fock-equations-in-coordinate-spac
 \hat{h}^{\mathrm{HF}}=\hat{t}+\hat{u}_{\mathrm{ext}}+\hat{u}^{\mathrm{HF}}
 $$
 
-<ul>
-  <li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
-  <li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
-</ul>
+
+<!-- !split --><br><br><br><br><br><br><br><br><br><br>
+<h2 id="why-hartree-fock">Why Hartree-Fock? </h2>
+
+<ol>
+<li> The term  \( \hat{u}^{\mathrm{HF}} \) is a single-particle potential to be determined by the HF algorithm.</li>
+<li> The HF algorithm means to choose \( \hat{u}^{\mathrm{HF}} \) in order to have</li> 
+</ol>
 $$ \langle \hat{H} \rangle = E^{\mathrm{HF}}= \langle \Phi_0 | \hat{H}|\Phi_0 \rangle
 $$
 
 <p>that is to find a local minimum with a Slater determinant \( \Phi_0 \) being the ansatz for the ground state. </p>
-<ul>
-  <li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
-</ul>
+<ol>
+<li> The variational principle ensures that \( E^{\mathrm{HF}} \ge E_0 \), with \( E_0 \) the exact ground state energy.</li>
+</ol>
 <!-- !split --><br><br><br><br><br><br><br><br><br><br>
 <h2 id="why-hartree-fock-theory">Why Hartree-Fock theory  </h2>
 

diff --git a/doc/pub/week39/ipynb/ipynb-week39-src.tar.gz b/doc/pub/week39/ipynb/ipynb-week39-src.tar.gz