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mhjensen committed Nov 17, 2023
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29 changes: 17 additions & 12 deletions doc/LectureNotes/_build/html/_sources/schedule.md
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Expand Up @@ -170,32 +170,37 @@ This course will be delivered in a hybrid mode, with online and on site lectures
### Week 46, November 13-17, 2023
- Topics to be covered
- Thursday:
- Summary many-body perturbation theory and discussion of Coupled Cluster theory
- Diagram rules (whiteboard notes)
- Examples of diagrams and discussion of Pauli violating diagrams (Whiteboard notes)
- Video of lecture at https://youtu.be/rCtpX221u24
- Whiteboard notes at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/HandwrittenNotes/2023/LectureNovember16.pdf
- Friday:
- Coupled Cluster theory with doubles excitations
- Diagrammatic representation of Coupled Cluster theory
- Lecture Material: Lecture slides at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/src/week46/LatexSlides/slidesweek46.pdf, handwritten notes and Shavitt and Bartlett chapter 9
- Time-dependent perturbation theory, definitions of Schroedinger, Heisenberg and interaction picture, see slides at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/src/week45/LatexSlides/pictures.pdf
- Video of lecture at https://youtu.be/8-dnWUDTnS0
- Whiteboard notes at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/HandwrittenNotes/2023/LectureNovember17.pdf
- Lecture Material: Slides at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/pub/week46/pdf/slidesweek46.pdf, handwritten notes a\
nd Shavitt and Bartlett chapter 4-6
- Work on second midterm set at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/Exercises/2023/SecondMidterm2023.pdf

### Week 47, November 20-24, 2023
- Topics to be covered
- Thursday:
- Coupled Cluster theory, singles and doubles excitations
- Green's function theory
- Friday:
- Coupled Cluster theory and summary of course
- Lecture Material: Slides at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/src/week47/LatexSlides/slidesweek47.pdf, handwritten notes and Shavitt and Bartlett chapters 9 and 10
- Green's function theory
- Lecture Material:
- Work on second midterm set at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/Exercises/2023/SecondMidterm2023.pdf

### Week 48, November 27-December 1, 2023
- Topics to be covered
- Thursday:
- Coupled Cluster theory, singles and doubles excitations
- Green's function theory
- Friday:
- Coupled Cluster theory and summary of course
- Lecture Material: Slides at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/src/week47/LatexSlides/slidesweek47.pdf, handwritten notes and Shavitt and Bartlett chapters 9 and 10
- Green's function theory and summary of course
- Lecture Material:
- Work on second midterm set at https://github.com/ManyBodyPhysics/FYS4480/blob/master/doc/Exercises/2023/SecondMidterm2023.pdf


### Week 50, December 19 and 21, 2023
- Final oral exam, day to be determined
### Week 50, December 19, 2023
- Final oral exam

78 changes: 37 additions & 41 deletions doc/LectureNotes/_build/html/boltzmannmachines.html
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Expand Up @@ -2455,40 +2455,40 @@ <h2><span class="section-number">13.7. </span>Python version for the two non-int
</div>
</div>
<div class="cell_output docutils container">
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.270829693673645
Energy: 3.233104652672888
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.2616589395123157
Energy: 3.250328623538633
Energy: 3.210096688088389
Energy: 3.2616162121215706
</pre></div>
</div>
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.247383897523189
Energy: 3.2323935531841137
Energy: 3.3658081999383316
Energy: 3.201257830861303
Energy: 3.1640313431712044
Energy: 3.2956720397479438
Energy: 3.245099658936495
Energy: 3.273061876235883
Energy: 3.1811830181358536
Energy: 3.2619697749130916
Energy: 3.2097609308000075
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.2601523514477346
Energy: 3.2569803619031514
Energy: 3.27515114735846
</pre></div>
</div>
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.222733848271767
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.226532626427531
Energy: 3.2479229142962693
Energy: 3.2405790551148295
Energy: 3.339269450372016
Energy: 3.292985914196608
Energy: 3.2734831269767466
Energy: 3.468371242428862
Energy: 3.2814210399238766
Energy: 3.2714197897886885
Energy: 3.2193959772791
Energy: 3.2912864812817935
Energy: 3.2423803253014007
Energy: 3.1928143709455195
Energy: 3.2146899252942056
Energy: 3.2999210822323337
Energy: 3.2811059647446417
</pre></div>
</div>
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.2447619247830217
Energy: 3.269317606376056
Energy: 3.200534237237334
Energy: 3.2349636044589025
Energy: 3.340305199776341
Energy: 3.3044665357695058
Energy: 3.2631436797918103
Energy: 3.2914767328754526
Energy: 3.2451508473321633
Energy: 3.2176548221895658
Energy: 3.323211030424025
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.221709384120671
Energy: 3.2201117261448933
</pre></div>
</div>
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.2049106538710403
<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy: 3.2411631395541476
</pre></div>
</div>
<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
Expand All @@ -2501,22 +2501,18 @@ <h2><span class="section-number">13.7. </span>Python version for the two non-int
<span class="g g-Whitespace"> </span><span class="mi">237</span> <span class="n">bgradient</span> <span class="o">=</span> <span class="n">EDerivative</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>

<span class="nn">Input In [1],</span> in <span class="ni">EnergyMinimization</span><span class="nt">(a, b, w)</span>
<span class="g g-Whitespace"> </span><span class="mi">177</span> <span class="n">wfold</span> <span class="o">=</span> <span class="n">wfnew</span>
<span class="g g-Whitespace"> </span><span class="mi">178</span> <span class="c1">#print(&quot;wf new: &quot;, wfnew)</span>
<span class="g g-Whitespace"> </span><span class="mi">179</span> <span class="c1">#print(&quot;force on 1 new:&quot;, QuantumForceNew[0,:])</span>
<span class="g g-Whitespace"> </span><span class="mi">180</span> <span class="c1">#print(&quot;pos of 1 new: &quot;, PositionNew[0,:])</span>
<span class="g g-Whitespace"> </span><span class="mi">181</span> <span class="c1">#print(&quot;force on 2 new:&quot;, QuantumForceNew[1,:])</span>
<span class="g g-Whitespace"> </span><span class="mi">182</span> <span class="c1">#print(&quot;pos of 2 new: &quot;, PositionNew[1,:])</span>
<span class="ne">--&gt; </span><span class="mi">183</span> <span class="n">DeltaE</span> <span class="o">=</span> <span class="n">LocalEnergy</span><span class="p">(</span><span class="n">PositionOld</span><span class="p">,</span><span class="n">a</span><span class="p">,</span><span class="n">b</span><span class="p">,</span><span class="n">w</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">184</span> <span class="n">DerPsi</span> <span class="o">=</span> <span class="n">DerivativeWFansatz</span><span class="p">(</span><span class="n">PositionOld</span><span class="p">,</span><span class="n">a</span><span class="p">,</span><span class="n">b</span><span class="p">,</span><span class="n">w</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">186</span> <span class="n">DeltaPsi</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="n">DerPsi</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
<span class="g g-Whitespace"> </span><span class="mi">159</span> <span class="n">PositionNew</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">j</span><span class="p">]</span> <span class="o">=</span> <span class="n">PositionOld</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">j</span><span class="p">]</span><span class="o">+</span><span class="n">normalvariate</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">)</span><span class="o">*</span><span class="n">sqrt</span><span class="p">(</span><span class="n">TimeStep</span><span class="p">)</span><span class="o">+</span>\
<span class="g g-Whitespace"> </span><span class="mi">160</span> <span class="n">QuantumForceOld</span><span class="p">[</span><span class="n">i</span><span class="p">,</span><span class="n">j</span><span class="p">]</span><span class="o">*</span><span class="n">TimeStep</span><span class="o">*</span><span class="n">D</span>
<span class="g g-Whitespace"> </span><span class="mi">161</span> <span class="n">wfnew</span> <span class="o">=</span> <span class="n">WaveFunction</span><span class="p">(</span><span class="n">PositionNew</span><span class="p">,</span><span class="n">a</span><span class="p">,</span><span class="n">b</span><span class="p">,</span><span class="n">w</span><span class="p">)</span>
<span class="ne">--&gt; </span><span class="mi">162</span> <span class="n">QuantumForceNew</span> <span class="o">=</span> <span class="n">QuantumForce</span><span class="p">(</span><span class="n">PositionNew</span><span class="p">,</span><span class="n">a</span><span class="p">,</span><span class="n">b</span><span class="p">,</span><span class="n">w</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">164</span> <span class="n">GreensFunction</span> <span class="o">=</span> <span class="mf">0.0</span>
<span class="g g-Whitespace"> </span><span class="mi">165</span> <span class="k">for</span> <span class="n">j</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">Dimension</span><span class="p">):</span>

<span class="nn">Input In [1],</span> in <span class="ni">LocalEnergy</span><span class="nt">(r, a, b, w)</span>
<span class="g g-Whitespace"> </span><span class="mi">54</span> <span class="n">dlnpsi1</span> <span class="o">=</span> <span class="o">-</span><span class="p">(</span><span class="n">r</span><span class="p">[</span><span class="n">iq</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span> <span class="o">-</span> <span class="n">a</span><span class="p">[</span><span class="n">iq</span><span class="p">,</span><span class="n">ix</span><span class="p">])</span> <span class="o">/</span><span class="n">sig2</span> <span class="o">+</span> <span class="n">sum1</span><span class="o">/</span><span class="n">sig2</span>
<span class="g g-Whitespace"> </span><span class="mi">55</span> <span class="n">dlnpsi2</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span><span class="o">/</span><span class="n">sig2</span> <span class="o">+</span> <span class="n">sum2</span><span class="o">/</span><span class="n">sig2</span><span class="o">**</span><span class="mi">2</span>
<span class="ne">---&gt; </span><span class="mi">56</span> <span class="n">locenergy</span> <span class="o">+=</span> <span class="mf">0.5</span><span class="o">*</span><span class="p">(</span><span class="o">-</span><span class="n">dlnpsi1</span><span class="o">*</span><span class="n">dlnpsi1</span> <span class="o">-</span> <span class="n">dlnpsi2</span> <span class="o">+</span> <span class="n">r</span><span class="p">[</span><span class="n">iq</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span><span class="o">**</span><span class="mi">2</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">58</span> <span class="k">if</span><span class="p">(</span><span class="n">interaction</span><span class="o">==</span><span class="kc">True</span><span class="p">):</span>
<span class="g g-Whitespace"> </span><span class="mi">59</span> <span class="k">for</span> <span class="n">iq1</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">NumberParticles</span><span class="p">):</span>
<span class="nn">Input In [1],</span> in <span class="ni">QuantumForce</span><span class="nt">(r, a, b, w)</span>
<span class="g g-Whitespace"> </span><span class="mi">99</span> <span class="k">for</span> <span class="n">ih</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">NumberHidden</span><span class="p">):</span>
<span class="g g-Whitespace"> </span><span class="mi">100</span> <span class="n">sum1</span> <span class="o">+=</span> <span class="n">w</span><span class="p">[:,:,</span><span class="n">ih</span><span class="p">]</span><span class="o">/</span><span class="p">(</span><span class="mi">1</span><span class="o">+</span><span class="n">np</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">Q</span><span class="p">[</span><span class="n">ih</span><span class="p">]))</span>
<span class="ne">--&gt; </span><span class="mi">102</span> <span class="n">qforce</span> <span class="o">=</span> <span class="mi">2</span><span class="o">*</span><span class="p">(</span><span class="o">-</span><span class="p">(</span><span class="n">r</span><span class="o">-</span><span class="n">a</span><span class="p">)</span><span class="o">/</span><span class="n">sig2</span> <span class="o">+</span> <span class="n">sum1</span><span class="o">/</span><span class="n">sig2</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">104</span> <span class="k">return</span> <span class="n">qforce</span>

<span class="ne">KeyboardInterrupt</span>:
</pre></div>
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