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diff --git a/_images/19e4587d12575c92ad47790881b4da1b8cdfa67a873ac94a94c009ac99248106.png b/_images/19e4587d12575c92ad47790881b4da1b8cdfa67a873ac94a94c009ac99248106.png
diff --git a/_images/31c28b7a8a10eeb0f6a5f2c4bdf50506baf463aa38b182e338f4eab9927de545.png b/_images/31c28b7a8a10eeb0f6a5f2c4bdf50506baf463aa38b182e338f4eab9927de545.png
diff --git a/_images/41340f6ed3a849155bde46c8cacd42558317ecf193417314f43f45110864a375.png b/_images/41340f6ed3a849155bde46c8cacd42558317ecf193417314f43f45110864a375.png
diff --git a/_images/4d3372e808987716a4565290389126fe4feced1d23e2e1700ea4c596ebe62313.png b/_images/4d3372e808987716a4565290389126fe4feced1d23e2e1700ea4c596ebe62313.png
diff --git a/_images/4f472eb9a6e9fcf1db8441ba31c73572b09a1f4638fb3f1382529af10a7c7eef.png b/_images/4f472eb9a6e9fcf1db8441ba31c73572b09a1f4638fb3f1382529af10a7c7eef.png
diff --git a/_images/64724e00039fc31d77020c3ab030318c1e0ccc3b42bf23d1afa94ae753edb1ec.png b/_images/64724e00039fc31d77020c3ab030318c1e0ccc3b42bf23d1afa94ae753edb1ec.png
diff --git a/_images/7ff6dd7686bf732ac14af0f4a42cd864bb2fa9a1c02964e635d6c991abf16abd.png b/_images/7ff6dd7686bf732ac14af0f4a42cd864bb2fa9a1c02964e635d6c991abf16abd.png
diff --git a/_images/9709992b8a2ea58ea7c37b2a0ca0b4257cc3161ccc241b788ab4ed67279fa5f6.png b/_images/9709992b8a2ea58ea7c37b2a0ca0b4257cc3161ccc241b788ab4ed67279fa5f6.png
diff --git a/_images/9f4f832c053ff9be0a8a159cdb2b77f22486de7ef93c67528f98ad4f76e05801.png b/_images/9f4f832c053ff9be0a8a159cdb2b77f22486de7ef93c67528f98ad4f76e05801.png
diff --git a/_images/ab972cf4103d0491dec2ea12c0061047951b3e38ccdf41b57e234219170fac2b.png b/_images/ab972cf4103d0491dec2ea12c0061047951b3e38ccdf41b57e234219170fac2b.png
diff --git a/_images/bef9b72d2aaf8838f7424cc03c47a1b5047e6ae974e819157874703fdfe22a71.png b/_images/bef9b72d2aaf8838f7424cc03c47a1b5047e6ae974e819157874703fdfe22a71.png
diff --git a/_images/c205fb5fec4109eabea06a840025b34134b93a989155663086ed645cbafd31f5.png b/_images/c205fb5fec4109eabea06a840025b34134b93a989155663086ed645cbafd31f5.png
diff --git a/_images/cf25e2d30b5d2945d243d977a2648f31592481b3441b2af7e1d39ef9e7486893.png b/_images/cf25e2d30b5d2945d243d977a2648f31592481b3441b2af7e1d39ef9e7486893.png
diff --git a/_images/e0d7b4a9680171df4703f931bb3516f3bacae7d757ecc60f2577ba861236d18c.png b/_images/e0d7b4a9680171df4703f931bb3516f3bacae7d757ecc60f2577ba861236d18c.png
diff --git a/_sources/docs/spec_prop/cubic_resp.ipynb b/_sources/docs/spec_prop/cubic_resp.ipynb
diff --git a/_sources/docs/spec_prop/finite_field.ipynb b/_sources/docs/spec_prop/finite_field.ipynb
@@ -178,7 +178,16 @@
      "remove-output"
     ]
    },
-   "outputs": [],
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "* Warning * Environment variable OMP_NUM_THREADS not set.\n",
+      "* Warning * Setting OMP_NUM_THREADS to 4.\n"
+     ]
+    }
+   ],
    "source": [
     "import numpy as np\n",
     "import veloxchem as vlx"
@@ -481,7 +490,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 9,
    "id": "db20b247-3fd5-4a39-bbb4-8cb96a9204eb",
    "metadata": {
     "editable": true,
@@ -516,10 +525,10 @@
     "    alpha[F] = -lrf_results[\"response_functions\"][(\"z\", \"z\", 0.0)]\n",
     "\n",
     "    qrf_results = qrf_drv.compute(molecule, basis, scf_results)\n",
-    "    beta[F] = -qrf_results[('qrf', 0.0, 0.0)]\n",
+    "    beta[F] = -qrf_results[('qrf', 0.0, 0.0)].real\n",
     "\n",
     "    crf_results = crf_drv.compute(molecule, basis, scf_results)\n",
-    "    gamma[F] = -crf_results[('crf', 0.0, 0.0, 0.0)]"
+    "    gamma[F] = -crf_results[('crf', 0.0, 0.0, 0.0)].real"
    ]
   },
   {
@@ -594,7 +603,7 @@
       "            0.744762   9.34779  -6.73492   999.154\n",
       "\n",
       "Numerical differentiation\n",
-      " -energy    0.744763   9.34779  -6.71196  1046.601\n",
+      " -energy    0.744763   9.34779  -6.71209  1047.823\n",
       " -mu                   9.34781  -6.73532   999.819\n",
       " -alpha                         -6.73499   999.151\n",
       " -beta                                     999.159\n",
@@ -609,12 +618,12 @@
     "print(f\"{'Method':10s}{'mu':>10s}{'alpha':>10s}{'beta':>10s}{'gamma':>10s}\")\n",
     "print(\"-\"*50)\n",
     "print(\"Analytic derivatives\")\n",
-    "print(f\"{'':10s}{mu[0.0]:10.6f}{alpha[0.0]:10.5f}{beta[0.0].real:10.5f}{gamma[0.0].real:10.3f}\")\n",
+    "print(f\"{'':10s}{mu[0.0]:10.6f}{alpha[0.0]:10.5f}{beta[0.0]:10.5f}{gamma[0.0]:10.3f}\")\n",
     "print(\"\\nNumerical differentiation\")\n",
     "print(f\"{' -energy':10s}{-dE[0]:10.6f}{-dE[1]:10.5f}{-dE[2]:10.5f}{-dE[3]:10.3f}\")\n",
     "print(f\"{' -mu':10s}{'':10s}{dmu[0]:10.5f}{dmu[1]:10.5f}{dmu[2]:10.3f}\")\n",
     "print(f\"{' -alpha':10s}{'':10s}{'':10s}{dalpha[0]:10.5f}{dalpha[1]:10.3f}\")\n",
-    "print(f\"{' -beta':10s}{'':10s}{'':10s}{'':10s}{dbeta[0].real:10.3f}\")\n",
+    "print(f\"{' -beta':10s}{'':10s}{'':10s}{'':10s}{dbeta[0]:10.3f}\")\n",
     "print(\"-\"*50)"
    ]
   },

diff --git a/_sources/docs/spec_prop/linear_resp.ipynb b/_sources/docs/spec_prop/linear_resp.ipynb
diff --git a/_sources/docs/spec_prop/quad_resp.ipynb b/_sources/docs/spec_prop/quad_resp.ipynb
diff --git a/docs/basics_notebook.html b/docs/basics_notebook.html
diff --git a/docs/elec_struct/ci.html b/docs/elec_struct/ci.html
@@ -698,8 +698,8 @@ <h2>The <span class="math notranslate nohighlight">\(N\)</span>-electron basis<a
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+        <p id="3dmolwarning_1701945889602607" style="background-color:#ffcccc;color:black">You appear to be running in JupyterLab (or JavaScript failed to load for some other reason).  You need to install the 3dmol extension: <br>
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+viewer_1701945889602607.zoomTo();
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@@ -975,6 +975,9 @@ <h2>The CI Hamiltonian<a class="headerlink" href="#the-ci-hamiltonian" title="Pe
  -144.99400313 -144.89601606 -144.89601606 -144.86160532 -144.86160532]
 </pre></div>
 </div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
+</pre></div>
+</div>
 </div>
 </div>
 <p>Note how the first (and lowest) energy is indeed lower than the one found at the Hartree–Fock level, due to electron correlation. However, it is important to note that some of the states obtained here are not actually triplet but have a higher multiplicity.</p>
@@ -988,17 +991,17 @@ <h2>The CI Hamiltonian<a class="headerlink" href="#the-ci-hamiltonian" title="Pe
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[0.969 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.176 -0.000
- 0.000 0.000 -0.032 0.065 0.000 0.065 0.032 0.000 -0.000 0.000 -0.000
- -0.000 0.000 -0.000 0.000 0.000 -0.002 0.003 0.000 0.000 0.000 0.000
- -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000
- 0.000 0.000 0.000 0.003 0.002 0.000 -0.000 -0.000 -0.000 0.000 0.000
- 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.034 -0.070 0.000 -0.070
- -0.034 0.000 -0.000 -0.000 -0.066 -0.000 0.000 -0.000 -0.000 0.000 -0.000
- -0.000 0.000 -0.036 -0.000 0.004 0.000 -0.000 -0.008 -0.000 -0.000 -0.000
- -0.000 -0.000 -0.000 -0.019 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000
- -0.000 0.000 -0.008 0.000 0.000 -0.004 0.000 -0.000 -0.000 -0.000 0.000
- -0.000 -0.000 -0.019 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000]
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[-0.969 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.176 -0.000
+ 0.000 -0.000 -0.022 0.069 0.000 0.069 0.022 -0.000 -0.000 0.000 -0.000
+ -0.000 -0.000 -0.000 -0.000 0.000 -0.001 0.004 0.000 0.000 0.000 0.000
+ 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000
+ -0.000 0.000 0.000 0.004 0.001 -0.000 0.000 0.000 -0.000 0.000 0.000
+ 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.023 -0.074 0.000 -0.074
+ -0.023 0.000 -0.000 0.000 0.066 0.000 0.000 0.000 -0.000 0.000 0.000
+ -0.000 -0.000 0.036 0.000 0.003 0.000 -0.000 -0.009 -0.000 -0.000 -0.000
+ 0.000 0.000 0.000 0.019 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000
+ 0.000 0.000 -0.009 0.000 -0.000 -0.003 -0.000 -0.000 -0.000 -0.000 0.000
+ 0.000 -0.000 0.019 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000]
 </pre></div>
 </div>
 </div>
@@ -1408,23 +1411,23 @@ <h2>Direct CI<a class="headerlink" href="#direct-ci" title="Permalink to this he
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 1 = -147.62953840021837
-Energy at step 2 = -147.71950117839978
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 1 = -147.62953840021845
+Energy at step 2 = -147.71961084786736
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 3 = -147.72319723321348
-Energy at step 4 = -147.7233704307375
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 3 = -147.72320976530582
+Energy at step 4 = -147.72337266908193
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 5 = -147.72338910986724
-Energy at step 6 = -147.72339144388854
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 5 = -147.72338945745622
+Energy at step 6 = -147.72339149545613
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 7 = -147.7233918490659
-Energy at step 8 = -147.72339192120353
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 7 = -147.72339185645623
+Energy at step 8 = -147.72339192219124
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 9 = -147.7233919345466
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Energy at step 9 = -147.72339193465749
 </pre></div>
 </div>
 </div>
@@ -1482,19 +1485,19 @@ <h2>Direct CI<a class="headerlink" href="#direct-ci" title="Permalink to this he
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        1     -147.629538400     0.0e+00      1.6e-01   0:00:00
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        2     -147.719501269    -9.0e-02      8.3e-03   0:00:00
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        2     -147.719610931    -9.0e-02      8.2e-03   0:00:00
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        3     -147.723350936    -3.8e-03      4.8e-05   0:00:00
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        3     -147.723354794    -3.7e-03      4.4e-05   0:00:00
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        4     -147.723390664    -4.0e-05      1.9e-06   0:00:00
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        4     -147.723390696    -3.6e-05      1.7e-06   0:00:00
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        5     -147.723391934    -1.3e-06      5.0e-09   0:00:00
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        5     -147.723391934    -1.2e-06      5.2e-09   0:00:00
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        6     -147.723391938    -3.4e-09      2.8e-11   0:00:00
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        6     -147.723391938    -3.7e-09      3.5e-11   0:00:00
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>                                                                                                                          
@@ -1505,7 +1508,7 @@ <h2>Direct CI<a class="headerlink" href="#direct-ci" title="Permalink to this he
 
 
 * State 1
-- Energy: -147.72339193756662
+- Energy: -147.72339193756164
 - S^2   : 2.00  (multiplicity = 3.0 )
 - Natural orbitals
 1.95550 1.95550 1.96583 1.04380 1.04380 0.03557
@@ -1577,8 +1580,8 @@ <h3>Restricting the excitations<a class="headerlink" href="#restricting-the-exci
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+        <p id="3dmolwarning_1701945892000584" style="background-color:#ffcccc;color:black">You appear to be running in JupyterLab (or JavaScript failed to load for some other reason).  You need to install the 3dmol extension: <br>
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@@ -1689,7 +1692,7 @@ <h3>Restricting the excitations<a class="headerlink" href="#restricting-the-exci
      ----------------------------------------------------------
 </pre></div>
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        1     -75.983338648     0.0e+00      2.3e-29   0:00:00
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>        1     -75.983338648     0.0e+00      1.7e-28   0:00:00
 </pre></div>
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 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>                                                                                                                          
@@ -1700,10 +1703,10 @@ <h3>Restricting the excitations<a class="headerlink" href="#restricting-the-exci
 
 
 * State 1
-- Energy: -75.98333864834032
-- S^2   : 0.00  (multiplicity = 1.0 )
+- Energy: -75.98333864834028
+- S^2   : -0.00  (multiplicity = 1.0 )
 - Natural orbitals
-2.00000 2.00000 2.00000 2.00000 2.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000
+2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>                          Configuration Interaction Driver