diff --git a/Work.ipynb b/Work.ipynb
index 877a68c..72597c3 100644
--- a/Work.ipynb
+++ b/Work.ipynb
@@ -203,24 +203,24 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "(* Fonction création chaîne de n H *)\n",
+    "(* Fonction création chaîne linéaire de n H *)\n",
     "\n",
-    "let xyz n = \n",
+    "let xyz d n = \n",
     "    let accu = \"\"\n",
     "    in\n",
-    "    let rec toto accu n =\n",
+    "    let rec toto accu d n =\n",
     "        let accu = \n",
     "            if n=0 \n",
     "            then accu ^ \"\"\n",
     "            else\n",
     "                match n with \n",
-    "                | 1 -> \"H\" ^ \"  \" ^ string_of_float(1.8 *. float_of_int(n)) ^ \"  0. 0.\\n\" ^ accu\n",
-    "                | x -> toto (\"H\" ^ \"  \" ^ string_of_float(1.8 *. float_of_int(n)) ^ \"  0. 0.\\n\" ^ accu ) (n-1)\n",
+    "                | 1 -> \"H  0. 0. 0.\\n\" ^ accu\n",
+    "                | x -> toto (\"H\" ^ \"  \" ^ string_of_float( d *. float_of_int(n-1)) ^ \"  0. 0.\\n\" ^ accu ) d (n-1)\n",
     "            in\n",
     "            accu\n",
-    "        in string_of_int(n) ^ \"\\nH\" ^ string_of_int(n) ^ \"\\n\" ^ toto accu n;;\n",
+    "        in string_of_int(n) ^ \"\\nH\" ^ string_of_int(n) ^ \"\\n\" ^ toto accu d n;;\n",
     "    \n",
-    "let xyz_string = xyz 4;;"
+    "let xyz_string = xyz 1.8 4;;"
    ]
   },
   {
@@ -1054,7 +1054,15 @@
     "\n",
     "$A^r_{12}=A^x_{12} + A^y_{12} + A^z_{12}$\n",
     "\n",
-    "$B^r_{12}=B^x_{12} + B^y_{12} + B^z_{12}$"
+    "$B^r_{12}=B^x_{12} + B^y_{12} + B^z_{12}$\n",
+    "\n",
+    "Et le critère à minimiser est :\n",
+    "\n",
+    "$D= \\sum_i < \\phi_i | r | \\phi_i >$\n",
+    "\n",
+    "Avec \n",
+    "\n",
+    "$< \\phi_i | r | \\phi_i > = < \\phi_i | x | \\phi_i > + < \\phi_i | y | \\phi_i > + < \\phi_i | z | \\phi_i >$\n"
    ]
   },
   {
@@ -1247,7 +1255,8 @@
     "\n",
     "\n",
     "Avec : \n",
-    "    $A_{ij} = [ \\phi_i \\phi_j | \\phi_i \\phi_j] - 1/4  [\\phi_i^2 - \\phi_j^2 | \\phi_i^2 - \\phi_j^2] $\n",
+    "\n",
+    "$A_{ij} = [ \\phi_i \\phi_j | \\phi_i \\phi_j] - 1/4  [\\phi_i^2 - \\phi_j^2 | \\phi_i^2 - \\phi_j^2] $\n",
     "   \n",
     "Où :\n",
     "\n",
@@ -1627,8 +1636,9 @@
     "        then 0. \n",
     "         else 0.25 *. (acos(-. m_a12.{i,j} /. sqrt((m_a12.{i,j}**2.) +. (m_b12.{i,j}**2.)))));;\n",
     "\n",
-    "f_alpha m_C;;      \n",
-    "      "
+    "(*********************)\n",
+    "\n",
+    "f_alpha m_C;;        "
    ]
   },
   {
@@ -1644,11 +1654,12 @@
     "                integral_general (fun a b e f i j -> m_C.{a,i} *. m_C.{b,i}  *. m_C.{e,i} *. m_C.{f,i} \n",
     "                   ) i j\n",
     "                       )\n",
-    "        in Vec.init n_ao ( fun i -> m_D.{i,1} )\n",
+    "        in Vec.init n_ao ( fun i -> m_D.{i,i} )\n",
     "    in  Vec.sum v_D ;;\n",
     "\n",
+    "(******************)\n",
     "\n",
-    "s_D m_C;;\n"
+    "s_D m_C;;"
    ]
   },
   {
@@ -1669,7 +1680,7 @@
     "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
     "    in\n",
     "    let phi_z_phi =\n",
-    "          Multipole.matrix_y multipoles \n",
+    "          Multipole.matrix_z multipoles \n",
     "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef\n",
     "    in      \n",
     "\n",
@@ -1689,10 +1700,54 @@
     "    Mat.init_cols n_ao n_ao ( fun i j ->\n",
     "        0.25 *. asin(m_b12.{i,j} /. sqrt((m_a12.{i,j}**2.) +. (m_b12.{i,j}**2.) )));;\n",
     "\n",
+    "(****************************)\n",
     "\n",
     "f_alpha_boys multipoles;;\n"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "(* Fonction de calcul de D Boys *)\n",
+    "\n",
+    "let d_boys multipoles = \n",
+    "\n",
+    "    let phi_x2_phi =\n",
+    "          Multipole.matrix_x2 multipoles \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
+    "    in\n",
+    "    \n",
+    "    (*Util.debug_matrix \"phi_x2_phi\" phi_x2_phi;*)\n",
+    "    \n",
+    "    let phi_y2_phi =\n",
+    "          Multipole.matrix_y2 multipoles \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef \n",
+    "    in\n",
+    "    \n",
+    "    (*Util.debug_matrix \"phi_y2_phi\" phi_y2_phi;*)\n",
+    "    \n",
+    "    let phi_z2_phi =\n",
+    "          Multipole.matrix_z2 multipoles \n",
+    "          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef\n",
+    "\n",
+    "    in\n",
+    "    \n",
+    "    (*Util.debug_matrix \"phi_z2_phi\" phi_z2_phi;*)\n",
+    "    \n",
+    "    let v_D_boys = \n",
+    "    Vec.init n_ao ( fun i -> phi_x2_phi.{i,i} +. phi_y2_phi.{i,i} +. phi_z2_phi.{i,i})\n",
+    "\n",
+    "in\n",
+    "Vec.sum v_D_boys;;\n",
+    "\n",
+    "(*************************)\n",
+    "\n",
+    "d_boys multipoles;;"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
@@ -1717,6 +1772,8 @@
     "in \n",
     "alpha methode;;\n",
     "\n",
+    "(*************************)\n",
+    "\n",
     "calcul_alpha_2 \"ER\" ;;\n",
     "calcul_alpha_2 \"Boys\" ;;\n",
     "let methode = \"ER\";;\n",
@@ -1732,7 +1789,7 @@
     "(* Test méthode de calcul du critère de convergence *)\n",
     "let calcul_cc methode = \n",
     "\n",
-    "let b_boys = 2.\n",
+    "let b_boys = d_boys multipoles\n",
     "in\n",
     "let d_er = s_D m_C\n",
     "in\n",
@@ -1747,7 +1804,9 @@
     "in \n",
     "cc methode;;\n",
     "\n",
-    "calcul_cc \"ER\";;\n"
+    "(*************************)\n",
+    "\n",
+    "calcul_cc \"boys\";;"
    ]
   },
   {
@@ -1821,6 +1880,8 @@
     "        then {alpha_max; indice_ii; indice_jj}\n",
     "        else new_m_alpha alpha_m (n_rec_alpha-1);;\n",
     "\n",
+    "(*************************)\n",
+    "\n",
     "(*\n",
     "let m_alpha = f_alpha m_C;;\n",
     "new_m_alpha m_alpha 3;;\n",
@@ -1842,6 +1903,8 @@
     "        then sin alpha \n",
     "        else -. sin alpha );;\n",
     "\n",
+    "(*************************)\n",
+    "\n",
     "(*\n",
     "let alpha =  alphaij.alpha_max;;  (* Fonction -> constante *)        \n",
     "f_R alpha;;\n",
@@ -1876,6 +1939,8 @@
     "pour appliquer R afin d'effectuer la rotation des orbitales *) (* {1,2} -> 1ere ligne, 2e colonne *)\n",
     "let f_Ksi indice_i indice_j m_C  = Mat.init_cols n_ao 2 (fun i j -> if j=1 then m_C.{i,indice_i} else m_C.{i,indice_j} );;\n",
     "\n",
+    "(*************************)\n",
+    "\n",
     "(*\n",
     "let m_Ksi = f_Ksi indice_i indice_j m_C;; (* Fonction -> constante *)\n",
     "*)"
@@ -1890,6 +1955,9 @@
     "(* Fonction de calcul de ksi~ (matrice n par 2), nouvelle matrice par application de la matrice de rotation dans laquelle\n",
     "on obtient les deux orbitales que l'on va réinjecter dans la matrice Phi*)\n",
     "let f_Ksi_tilde m_R m_Ksi = gemm m_Ksi m_R;;\n",
+    "\n",
+    "(*************************)\n",
+    "\n",
     "(*\n",
     "let m_Ksi_tilde = f_Ksi_tilde m_R m_Ksi;; (* Fonction -> constante *)\n",
     "*)"
@@ -1922,6 +1990,9 @@
     "        then m_Ksi.{i,2}\n",
     "        else 0.)\n",
     ";;\n",
+    "\n",
+    "(*************************)\n",
+    "\n",
     "(*\n",
     "let m_Psi = f_Psi m_Ksi indice_i indice_j;; (* Fonction -> constante *)\n",
     "\n",
@@ -1938,6 +2009,9 @@
     "(* Matrice intérmédiaire où les orbitales i et j ont été supprimées et remplacées par des 0, par soustraction de la matrice Phi\n",
     "par la matrice *)\n",
     "let f_interm m_C m_Psi = Mat.sub m_C m_Psi;;\n",
+    "\n",
+    "(*************************)\n",
+    "\n",
     "(*\n",
     "let m_interm = f_interm m_C m_Psi;; (* Fonction -> constante *)\n",
     "\n",