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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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128 changes: 64 additions & 64 deletions .doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
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"Original representation\n",
"-----------------------\n",
"One-body tensor:\n",
"[[-8.27478830e-01 -2.66405155e-16]\n",
" [-3.07220771e-16 -6.77238770e-01]]\n",
"[[-8.27478830e-01 1.69963606e-16]\n",
" [ 2.27557343e-16 -6.77238770e-01]]\n",
"\n",
"Two-body tensor:\n",
"[[[[5.23173938e-01 1.57437591e-16]\n",
" [1.57437591e-16 5.33545754e-01]]\n",
"[[[[ 5.23173938e-01 -1.85221301e-16]\n",
" [-1.85221301e-16 5.33545754e-01]]\n",
"\n",
" [[2.12704463e-16 2.48240570e-01]\n",
" [2.48240570e-01 1.61492903e-16]]]\n",
" [[-1.60188973e-16 2.48240570e-01]\n",
" [ 2.48240570e-01 -4.63466523e-17]]]\n",
"\n",
"\n",
" [[[2.12704463e-16 2.48240570e-01]\n",
" [2.48240570e-01 1.61492903e-16]]\n",
" [[[-1.60188973e-16 2.48240570e-01]\n",
" [ 2.48240570e-01 -4.63466523e-17]]\n",
"\n",
" [[5.33545754e-01 1.24884750e-16]\n",
" [1.24884750e-16 5.53132024e-01]]]]\n",
" [[ 5.33545754e-01 -6.67297191e-18]\n",
" [-6.67297191e-18 5.53132024e-01]]]]\n",
"\n",
"Double-factorized representation\n",
"--------------------------------\n",
"One-body tensor:\n",
"[[-1.21318608e+00 -4.25870402e-16]\n",
" [-4.76015378e-16 -1.07792507e+00]]\n",
"[[-1.21318608e+00 2.85747582e-16]\n",
" [ 3.10988315e-16 -1.07792507e+00]]\n",
"\n",
"Diagonal Coulomb matrices:\n",
"[[[ 5.14653029e-01 5.33545754e-01]\n",
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" [[ 2.48240570e-01 -2.48240570e-01]\n",
" [-2.48240570e-01 2.48240570e-01]]\n",
"\n",
" [[ 1.50800163e-59 -3.58462611e-31]\n",
" [-3.58462611e-31 8.52090881e-03]]]\n",
" [[ 1.44655364e-30 -1.11022302e-16]\n",
" [-1.11022302e-16 8.52090881e-03]]]\n",
"\n",
"Orbital rotations:\n",
"[[[-1.00000000e+00 8.24520980e-15]\n",
" [ 8.24520980e-15 1.00000000e+00]]\n",
"[[[ 1.00000000e+00 0.00000000e+00]\n",
" [ 0.00000000e+00 1.00000000e+00]]\n",
"\n",
" [[-7.07106781e-01 -7.07106781e-01]\n",
" [ 7.07106781e-01 -7.07106781e-01]]\n",
"\n",
" [[ 6.48603030e-15 -1.00000000e+00]\n",
" [-1.00000000e+00 -6.48603030e-15]]]\n"
" [[ 2.93775326e-15 -1.00000000e+00]\n",
" [-1.00000000e+00 -2.93775326e-15]]]\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: -0.8377963825937088\n"
"Hartree Fock energy: -0.8377963825937086\n"
]
}
],
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"execution_count": 6,
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"name": "stdout",
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"text": [
"Fidelity of evolved state w.r.t. initial state: 0.9696296369955066\n"
"Fidelity of evolved state w.r.t. initial state: 0.9696296369955067\n"
]
}
],
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"execution_count": 7,
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"name": "stdout",
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.999027574408349\n"
"Fidelity of Trotter-evolved state with exact state: 0.9990275744083494\n"
]
}
],
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"execution_count": 8,
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109657\n"
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109681\n"
]
}
],
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"execution_count": 9,
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109657\n"
"Fidelity of Trotter-evolved state with exact state: 0.9999906233109681\n"
]
}
],
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"execution_count": 10,
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"text": [
"Fidelity of Trotter-evolved state with exact state: 0.9999999336740057\n"
"Fidelity of Trotter-evolved state with exact state: 0.9999999336740071\n"
]
}
],
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