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@kevinsung
kevinsung committed Sep 20, 2023
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24 changes: 12 additions & 12 deletions .doctrees/nbsphinx/tutorials/01-introduction.ipynb
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32 changes: 16 additions & 16 deletions .doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb
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140 changes: 70 additions & 70 deletions .doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
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"Original representation\n",
"-----------------------\n",
"One-body tensor:\n",
"[[-8.27478830e-01 1.69963606e-16]\n",
" [ 2.27557343e-16 -6.77238770e-01]]\n",
"[[-8.27478830e-01 -2.66405155e-16]\n",
" [-3.07220771e-16 -6.77238770e-01]]\n",
"\n",
"Two-body tensor:\n",
"[[[[ 5.23173938e-01 -1.85221301e-16]\n",
" [-1.85221301e-16 5.33545754e-01]]\n",
"[[[[5.23173938e-01 1.94289029e-16]\n",
" [1.94289029e-16 5.33545754e-01]]\n",
"\n",
" [[-1.60188973e-16 2.48240570e-01]\n",
" [ 2.48240570e-01 -4.63466523e-17]]]\n",
" [[1.94289029e-16 2.48240570e-01]\n",
" [2.48240570e-01 8.32667268e-17]]]\n",
"\n",
"\n",
" [[[-1.60188973e-16 2.48240570e-01]\n",
" [ 2.48240570e-01 -4.63466523e-17]]\n",
" [[[1.94289029e-16 2.48240570e-01]\n",
" [2.48240570e-01 8.32667268e-17]]\n",
"\n",
" [[ 5.33545754e-01 -6.67297191e-18]\n",
" [-6.67297191e-18 5.53132024e-01]]]]\n",
" [[5.33545754e-01 1.11022302e-16]\n",
" [1.11022302e-16 5.53132024e-01]]]]\n",
"\n",
"Double-factorized representation\n",
"--------------------------------\n",
"One-body tensor:\n",
"[[-1.21318608e+00 2.85747582e-16]\n",
" [ 3.10988315e-16 -1.07792507e+00]]\n",
"[[-1.21318608e+00 -4.05183033e-16]\n",
" [-4.59876437e-16 -1.07792507e+00]]\n",
"\n",
"Diagonal Coulomb matrices:\n",
"[[[ 5.14653029e-01 5.33545754e-01]\n",
" [ 5.33545754e-01 5.53132024e-01]]\n",
"[[[ 5.14653029e-001 5.33545754e-001]\n",
" [ 5.33545754e-001 5.53132024e-001]]\n",
"\n",
" [[ 2.48240570e-01 -2.48240570e-01]\n",
" [-2.48240570e-01 2.48240570e-01]]\n",
" [[ 2.48240570e-001 -2.48240570e-001]\n",
" [-2.48240570e-001 2.48240570e-001]]\n",
"\n",
" [[ 1.44655364e-30 -1.11022302e-16]\n",
" [-1.11022302e-16 8.52090881e-03]]]\n",
" [[ 5.96958401e-121 -7.13206008e-062]\n",
" [-7.13206008e-062 8.52090881e-003]]]\n",
"\n",
"Orbital rotations:\n",
"[[[ 1.00000000e+00 0.00000000e+00]\n",
" [ 0.00000000e+00 1.00000000e+00]]\n",
"[[[-1.00000000e+00 4.25128053e-15]\n",
" [ 4.25128053e-15 1.00000000e+00]]\n",
"\n",
" [[-7.07106781e-01 -7.07106781e-01]\n",
" [ 7.07106781e-01 -7.07106781e-01]]\n",
" [[ 7.07106781e-01 -7.07106781e-01]\n",
" [-7.07106781e-01 -7.07106781e-01]]\n",
"\n",
" [[ 2.93775326e-15 -1.00000000e+00]\n",
" [-1.00000000e+00 -2.93775326e-15]]]\n"
" [[ 2.89310728e-30 -1.00000000e+00]\n",
" [-1.00000000e+00 -2.89310728e-30]]]\n"
]
}
],
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"execution_count": 4,
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"execution_count": 5,
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{
"name": "stdout",
"output_type": "stream",
"text": [
"Hartree Fock energy: -0.8377963825937086\n"
"Hartree Fock energy: -0.837796382593709\n"
]
}
],
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"execution_count": 6,
"metadata": {
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"name": "stdout",
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"text": [
"Fidelity of evolved state w.r.t. initial state: 0.9696296369955067\n"
"Fidelity of evolved state w.r.t. initial state: 0.9696296369955066\n"
]
}
],
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"execution_count": 7,
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{
"name": "stdout",
"output_type": "stream",
"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9990275744083494\n"
"Fidelity of Trotter-evolved state with exact state: 0.9990275744083491\n"
]
}
],
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"execution_count": 8,
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109681\n"
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109653\n"
]
}
],
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"execution_count": 9,
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109681\n"
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109653\n"
]
}
],
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"execution_count": 10,
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9999999336740071\n"
"Fidelity of Trotter-evolved state with exact state: 0.9999999336740059\n"
]
}
],
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