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QMC.org
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@ -10,7 +10,8 @@
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#+OPTIONS: H:4 num:t toc:t \n:nil @:t ::t |:t ^:t -:t f:t *:t <:t
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#+OPTIONS: TeX:t LaTeX:t skip:nil d:nil todo:t pri:nil tags:not-in-toc
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# EXCLUDE_TAGS: solution solution2 noexport
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#+EXCLUDE_TAGS: solution noexport
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# EXCLUDE_TAGS: solution noexport
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#+EXCLUDE_TAGS: noexport
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#+BEGIN_SRC elisp :output none :exports none
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(setq org-latex-listings 'minted
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@ -183,7 +184,7 @@ double precision function potential(r)
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end function potential
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#+END_SRC
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none
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#!/usr/bin/env python3
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@ -238,7 +239,7 @@ double precision function psi(a, r)
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end function psi
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#+END_SRC
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none
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def psi(a, r):
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@ -309,7 +310,7 @@ double precision function kinetic(a,r)
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end function kinetic
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#+END_SRC
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none
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def kinetic(a,r):
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@ -383,7 +384,7 @@ double precision function e_loc(a,r)
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end function e_loc
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#+END_SRC
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none
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def e_loc(a,r):
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@ -410,7 +411,7 @@ end function e_loc
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Find the theoretical value of $a$ for which $\Psi$ is an eigenfunction of $\hat{H}$.
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#+end_exercise
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**** Solution :solution2:
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**** Solution :solution:
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\begin{eqnarray*}
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E &=& \frac{\hat{H} \Psi}{\Psi} = - \frac{1}{2} \frac{\Delta \Psi}{\Psi} -
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@ -523,7 +524,7 @@ plot './data' index 0 using 1:2 with lines title 'a=0.1', \
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'./data' index 5 using 1:2 with lines title 'a=2.0'
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#+end_src
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none
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#!/usr/bin/env python3
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@ -681,7 +682,7 @@ gfortran hydrogen.f90 energy_hydrogen.f90 -o energy_hydrogen
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./energy_hydrogen
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#+end_src
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none :exports both
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#!/usr/bin/env python3
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@ -816,7 +817,7 @@ gfortran hydrogen.f90 energy_hydrogen.f90 -o energy_hydrogen
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$$\langle \left( E - \langle E \rangle_{\Psi^2} \right)^2\rangle_{\Psi^2} = \langle E^2 \rangle_{\Psi^2} - \langle E \rangle_{\Psi^2}^2 $$
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#+end_exercise
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**** DONE Solution :solution2:
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**** Solution :solution:
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$\bar{E} = \langle E \rangle$ is a constant, so $\langle \bar{E}
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\rangle = \bar{E}$ .
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@ -892,7 +893,7 @@ gfortran hydrogen.f90 variance_hydrogen.f90 -o variance_hydrogen
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./variance_hydrogen
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#+end_src
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none :exports both
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#!/usr/bin/env python3
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@ -1089,7 +1090,7 @@ subroutine ave_error(x,n,ave,err)
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end subroutine ave_error
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#+END_SRC
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results none :exports code
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#!/usr/bin/env python3
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@ -1265,7 +1266,7 @@ gfortran hydrogen.f90 qmc_stats.f90 qmc_uniform.f90 -o qmc_uniform
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./qmc_uniform
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#+end_src
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results output :exports both
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#!/usr/bin/env python3
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@ -1561,7 +1562,7 @@ gfortran hydrogen.f90 qmc_stats.f90 qmc_metropolis.f90 -o qmc_metropolis
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./qmc_metropolis
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#+end_src
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results output :exports both
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#!/usr/bin/env python3
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@ -1867,7 +1868,7 @@ subroutine drift(a,r,b)
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end subroutine drift
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#+END_SRC
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :tangle hydrogen.py
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def drift(a,r):
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@ -1975,7 +1976,7 @@ gfortran hydrogen.f90 qmc_stats.f90 vmc_metropolis.f90 -o vmc_metropolis
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./vmc_metropolis
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#+end_src
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**** Solution :solution2:
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**** Solution :solution:
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*Python*
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#+BEGIN_SRC python :results output :exports both
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#!/usr/bin/env python3
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