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This commit is contained in:
ANTONIO MEZZACAPO 2017-06-22 15:37:04 -04:00
parent 6cde550dd1
commit 967c3b0412
41 changed files with 462 additions and 48 deletions
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2
tools/optimizationtools.py
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@ -166,7 +166,7 @@ def trial_circuit_pauli(n,m,theta,entangler_map,pauli_string):
trial_circuit.barrier(q)
for j in range(n):
trial_circuit.rx(theta[n * i * 2 + 2*j], q[j])
trial_circuit.ry(theta[n * i * 2 + 2*j], q[j])
trial_circuit.rz(theta[n * i * 2 + 2*j + 1], q[j])

10
tutorial/sections/H2_hamiltonians/PESMap0atdistance0.2.txt Executable file
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@ -0,0 +1,10 @@
II
-0.63444908367400488
ZI
0.93039460801675888
IZ
0.93039460801675911
ZZ
0.013526988052545402
XX
0.15797133539098221

10
tutorial/sections/H2_hamiltonians/PESMap10atdistance1.2.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0526705559236769
ZI
0.20019027140892859
IZ
0.20019027140892867
ZZ
0.006963127832254612
XX
0.20979164336117823

10
tutorial/sections/H2_hamiltonians/PESMap11atdistance1.3.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0399157708520572
ZI
-0.17310902665470002
IZ
-0.17310902665470002
ZZ
0.0059630046462814668
XX
0.21641761379277691

10
tutorial/sections/H2_hamiltonians/PESMap12atdistance1.4.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0253589912520973
ZI
0.14956828171611936
IZ
0.14956828171611924
ZZ
0.0050307009830743155
XX
0.22302208221006781

10
tutorial/sections/H2_hamiltonians/PESMap13atdistance1.5.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0096438533439631
ZI
0.12910132587794909
IZ
0.12910132587794898
ZZ
0.0041884054836630602
XX
0.22953587766748473

10
tutorial/sections/H2_hamiltonians/PESMap14atdistance1.6.txt Executable file
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@ -0,0 +1,10 @@
II
-0.99329888855095949
ZI
0.11130900085876314
IZ
0.11130900085876311
ZZ
0.0034480791742557138
XX
0.23590135756835237

10
tutorial/sections/H2_hamiltonians/PESMap15atdistance1.7.txt Executable file
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@ -0,0 +1,10 @@
II
-0.97673754121163714
ZI
0.0958445077110293
IZ
0.09584450771102912
ZZ
0.0028075358894698588
XX
0.24207289860816317

10
tutorial/sections/H2_hamiltonians/PESMap16atdistance1.8.txt Executable file
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@ -0,0 +1,10 @@
II
-0.96028037695211821
ZI
0.082409875704290592
IZ
0.082409875704290647
ZZ
0.00226469518310915
XX
0.24801715568418908

10
tutorial/sections/H2_hamiltonians/PESMap17atdistance1.9.txt Executable file
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@ -0,0 +1,10 @@
II
-0.94416429519529532
ZI
-0.070745812247514167
IZ
-0.070745812247513917
ZZ
0.0018086261883964172
XX
0.25371023338888415

10
tutorial/sections/H2_hamiltonians/PESMap18atdistance2.txt Executable file
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@ -0,0 +1,10 @@
II
-0.92855622812007999
ZI
0.060627278815774371
IZ
0.060627278815774455
ZZ
0.0014306027093105578
XX
0.25913855677496928

10
tutorial/sections/H2_hamiltonians/PESMap19atdistance2.1.txt Executable file
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@ -0,0 +1,10 @@
II
-0.91356793017320581
ZI
0.051860405681753784
IZ
0.051860405681753555
ZZ
0.0011211091024976305
XX
0.26429356984596153

10
tutorial/sections/H2_hamiltonians/PESMap1atdistance0.3.txt Executable file
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@ -0,0 +1,10 @@
II
-0.75369816321016647
ZI
0.80869539252831746
IZ
0.80869539252831713
ZZ
0.013335957448084163
XX
0.16081913496899852

10
tutorial/sections/H2_hamiltonians/PESMap20atdistance2.2.txt Executable file
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@ -0,0 +1,10 @@
II
-0.89926678358045664
ZI
0.04426960867862928
IZ
0.044269608678628974
ZZ
0.00086875625704091464
XX
0.26917399037233819

10
tutorial/sections/H2_hamiltonians/PESMap21atdistance2.3.txt Executable file
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@ -0,0 +1,10 @@
II
-0.88568855350119358
ZI
0.037704116778690441
IZ
0.037704116778690219
ZZ
0.00066572919094462502
XX
0.27378229302959728

10
tutorial/sections/H2_hamiltonians/PESMap22atdistance2.4.txt Executable file
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@ -0,0 +1,10 @@
II
-0.8728425776341735
ZI
0.032031034230833422
IZ
0.032031034230833463
ZZ
0.00050473600488434855
XX
0.27812424290623572

10
tutorial/sections/H2_hamiltonians/PESMap23atdistance2.5.txt Executable file
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@ -0,0 +1,10 @@
II
-0.86072160433622635
ZI
0.027134243458475878
IZ
0.027134243458476148
ZZ
0.00037744302072370561
XX
0.28221001603069706

10
tutorial/sections/H2_hamiltonians/PESMap24atdistance2.6.txt Executable file
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@ -0,0 +1,10 @@
II
-0.84930627058408348
ZI
0.022915060526454471
IZ
0.022915060526454575
ZZ
0.00027922550406937752
XX
0.28605015479247536

10
tutorial/sections/H2_hamiltonians/PESMap25atdistance2.7.txt Executable file
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@ -0,0 +1,10 @@
II
-0.83856589736311293
ZI
-0.019284805366273042
IZ
-0.019284805366273097
ZZ
0.00020410556745388553
XX
0.28965647949032908

10
tutorial/sections/H2_hamiltonians/PESMap26atdistance2.8.txt Executable file
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@ -0,0 +1,10 @@
II
-0.82846736706522262
ZI
0.016169986158359448
IZ
0.016169986158359545
ZZ
0.00014697602504364082
XX
0.29304330955876917

10
tutorial/sections/H2_hamiltonians/PESMap27atdistance2.9.txt Executable file
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@ -0,0 +1,10 @@
II
-0.8189736688603495
ZI
0.013505530227536519
IZ
0.013505530227536366
ZZ
0.00010420235495178787
XX
0.29622352981967115

10
tutorial/sections/H2_hamiltonians/PESMap28atdistance3.txt Executable file
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@ -0,0 +1,10 @@
II
-0.81004364017976838
ZI
0.011235404219805664
IZ
0.011235404219806164
ZZ
7.3617879044654555e-05
XX
0.29921179825612171

10
tutorial/sections/H2_hamiltonians/PESMap29atdistance3.1.txt Executable file
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@ -0,0 +1,10 @@
II
-0.80164235500056935
ZI
0.0093091158747921898
IZ
0.0093091158747922315
ZZ
5.1260273735170836e-05
XX
0.30202072620467607

10
tutorial/sections/H2_hamiltonians/PESMap2atdistance0.4.txt Executable file
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@ -0,0 +1,10 @@
II
-0.86255555442966614
ZI
0.68884421476604474
IZ
0.68884421476604529
ZZ
0.012939824667879019
XX
0.16451415502766348

10
tutorial/sections/H2_hamiltonians/PESMap30atdistance3.2.txt Executable file
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@ -0,0 +1,10 @@
II
-0.7937327867754288
ZI
0.0076801030443120755
IZ
0.0076801030443118257
ZZ
3.4820082292705279e-05
XX
0.30466387558149721

10
tutorial/sections/H2_hamiltonians/PESMap31atdistance3.3.txt Executable file
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@ -0,0 +1,10 @@
II
-0.78627811357200206
ZI
-0.0063112535739077713
IZ
-0.0063112535739077436
ZZ
2.3776105216685717e-05
XX
0.30715370895162086

10
tutorial/sections/H2_hamiltonians/PESMap32atdistance3.4.txt Executable file
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@ -0,0 +1,10 @@
II
-0.77924328504411911
ZI
0.005166173843327973
IZ
0.0051661738433280702
ZZ
1.5986550513130693e-05
XX
0.3095012359373755

10
tutorial/sections/H2_hamiltonians/PESMap33atdistance3.5.txt Executable file
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@ -0,0 +1,10 @@
II
-0.7725998923231493
ZI
0.0042117216124792772
IZ
0.0042117216124794021
ZZ
1.0251686055257059e-05
XX
0.31171775178391858

10
tutorial/sections/H2_hamiltonians/PESMap34atdistance3.6.txt Executable file
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@ -0,0 +1,10 @@
II
-0.76632003182029862
ZI
0.0034198790623681391
IZ
0.0034198790623682362
ZZ
6.7505803121176156e-06
XX
0.31381357147784428

10
tutorial/sections/H2_hamiltonians/PESMap35atdistance3.7.txt Executable file
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@ -0,0 +1,10 @@
II
-0.76037182858767305
ZI
0.0027680062734257577
IZ
0.0027680062734258687
ZZ
4.1973777251680389e-06
XX
0.31579690307916536

10
tutorial/sections/H2_hamiltonians/PESMap36atdistance3.8.txt Executable file
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@ -0,0 +1,10 @@
II
-0.75473345175604556
ZI
0.0022304734583572794
IZ
0.0022304734583571822
ZZ
3.0129361196229443e-06
XX
0.31767721792714781

10
tutorial/sections/H2_hamiltonians/PESMap37atdistance3.9.txt Executable file
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@ -0,0 +1,10 @@
II
-0.74938182586787261
ZI
0.0017925745111192354
IZ
0.0017925745111193464
ZZ
1.4704462543424501e-06
XX
0.31946166068949688

10
tutorial/sections/H2_hamiltonians/PESMap38atdistance4.txt Executable file
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@ -0,0 +1,10 @@
II
-0.74429692505207301
ZI
0.0014336017482368263
IZ
0.0014336017482368679
ZZ
7.2141802516523246e-07
XX
0.32115700615278464

10
tutorial/sections/H2_hamiltonians/PESMap3atdistance0.5.txt Executable file
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@ -0,0 +1,10 @@
II
-0.94770459608367519
ZI
0.58308174372535082
IZ
0.58308174372535082
ZZ
0.012517946865163054
XX
0.16887019746635745

10
tutorial/sections/H2_hamiltonians/PESMap4atdistance0.6.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0071247114292199
ZI
0.49401763712332147
IZ
0.49401763712332125
ZZ
0.012069257058235333
XX
0.17373018777655092

10
tutorial/sections/H2_hamiltonians/PESMap5atdistance0.7.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0439137050560034
ZI
0.42045411460602022
IZ
0.42045411460602017
ZZ
0.011506018027931303
XX
0.17900008076954921

10
tutorial/sections/H2_hamiltonians/PESMap6atdistance0.8.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0632129583259569
ZI
-0.35995882041428146
IZ
-0.35995882041428157
ZZ
0.01080970752866689
XX
0.18462735929236296

10
tutorial/sections/H2_hamiltonians/PESMap7atdistance0.9.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0702821121186525
ZI
0.30978862893702735
IZ
0.30978862893702758
ZZ
0.0099707920334989042
XX
0.19057124394815306

10
tutorial/sections/H2_hamiltonians/PESMap8atdistance1.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0692425120891662
ZI
0.26752894034608155
IZ
0.2675289403460821
ZZ
0.0090152041695621687
XX
0.19679094828429972

10
tutorial/sections/H2_hamiltonians/PESMap9atdistance1.1.txt Executable file
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@ -0,0 +1,10 @@
II
-1.0628131426642062
ZI
0.23139519597162184
IZ
0.23139519597162203
ZZ
0.0079944786943387247
XX
0.20322234234589942

118
tutorial/sections/quantum_chemistry.ipynb
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@ -76,7 +76,7 @@
},
{
"cell_type": "code",
"execution_count": 4,
"execution_count": 3,
"metadata": {},
"outputs": [],
"source": [
@ -93,10 +93,12 @@
" trial_circuit=trial_circuit_pauli(n,m,theta,entangler_map,ham_array[i])\n",
" Q_program.add_circuit('trial_circuit_label',trial_circuit)\n",
" Q_program.execute('trial_circuit_label', device, 1024)\n",
" # Q_program.get_counts('trial_circuit_label')\n",
" Q_program.get_counts('trial_circuit_label')\n",
" print(Q_program.get_counts('trial_circuit_label'))\n",
" print(Q_program.get_qasm('trial_circuit_label'))\n",
" i+=2 \n",
" i+=2 \n",
" \n",
" #ADD COUNTS TO AVG_ENERGY\n",
" \n",
" \n",
" return avg_energy\n",
@ -105,7 +107,7 @@
},
{
"cell_type": "code",
"execution_count": 5,
"execution_count": 4,
"metadata": {},
"outputs": [
{
@ -120,16 +122,16 @@
"h q[0];\n",
"h q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"measure q[0] -> c[0];\n",
"measure q[1] -> c[1];\n",
@ -142,16 +144,16 @@
"h q[0];\n",
"h q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"measure q[0] -> c[0];\n",
"measure q[1] -> c[1];\n",
@ -164,16 +166,16 @@
"h q[0];\n",
"h q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"measure q[0] -> c[0];\n",
"measure q[1] -> c[1];\n",
@ -186,16 +188,16 @@
"h q[0];\n",
"h q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"measure q[0] -> c[0];\n",
"measure q[1] -> c[1];\n",
@ -208,16 +210,16 @@
"h q[0];\n",
"h q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"barrier q[0],q[1];\n",
"rx(0.000000000000000) q[0];\n",
"rz(0.000000000000000) q[0];\n",
"rx(0.000000000000000) q[1];\n",
"rz(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[0];\n",
"ry(0.000000000000000) q[1];\n",
"ry(0.000000000000000) q[1];\n",
"cz q[0],q[1];\n",
"ry(0.785398163397448) q[0];\n",
"ry(0.785398163397448) q[1];\n",
@ -232,7 +234,7 @@
"0"
]
},
"execution_count": 5,
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
@ -243,12 +245,34 @@
},
{
"cell_type": "code",
"execution_count": 19,
"execution_count": null,
"metadata": {
"collapsed": true
},
"outputs": [],
"source": []
"source": [
"min_distance=.2\n",
"max_distance=4\n",
"number_of_points=39\n",
"\n",
"for i in range(number_of_points)\n",
"\n",
" distance=min_distance\n",
" \n",
" # %%%%%%%%%%%%% Coulomb Repulsion For Diatomic molecules %%%%%%%%%%%%%%%%%%%%%%\n",
" \n",
" tempDCoulomb=tempD/0.529177;\n",
" \n",
" \n",
" \n",
" Z1=1;\n",
" Z2=1;\n",
" CoulombRepulsion{ii+1}=8.9876*10^9*Z1*Z2*(1.60217653*10^(-19))^2/tempDCoulomb/(5.29177249*10^(-11));\n",
" CoulombRepulsion{ii+1}=CoulombRepulsion{ii+1}*2.293710449e+17;\n",
" \n",
" \n",
" "
]
},
{
"cell_type": "code",