From 967c3b041258f85a42a8a83301af3b593904bde5 Mon Sep 17 00:00:00 2001 From: ANTONIO MEZZACAPO Date: Thu, 22 Jun 2017 15:37:04 -0400 Subject: [PATCH] Partial Commit 2 --- tools/optimizationtools.py | 2 +- .../H2_hamiltonians/PESMap0atdistance0.2.txt | 10 ++ .../H2_hamiltonians/PESMap10atdistance1.2.txt | 10 ++ .../H2_hamiltonians/PESMap11atdistance1.3.txt | 10 ++ .../H2_hamiltonians/PESMap12atdistance1.4.txt | 10 ++ .../H2_hamiltonians/PESMap13atdistance1.5.txt | 10 ++ .../H2_hamiltonians/PESMap14atdistance1.6.txt | 10 ++ .../H2_hamiltonians/PESMap15atdistance1.7.txt | 10 ++ .../H2_hamiltonians/PESMap16atdistance1.8.txt | 10 ++ .../H2_hamiltonians/PESMap17atdistance1.9.txt | 10 ++ .../H2_hamiltonians/PESMap18atdistance2.txt | 10 ++ .../H2_hamiltonians/PESMap19atdistance2.1.txt | 10 ++ .../H2_hamiltonians/PESMap1atdistance0.3.txt | 10 ++ .../H2_hamiltonians/PESMap20atdistance2.2.txt | 10 ++ .../H2_hamiltonians/PESMap21atdistance2.3.txt | 10 ++ .../H2_hamiltonians/PESMap22atdistance2.4.txt | 10 ++ .../H2_hamiltonians/PESMap23atdistance2.5.txt | 10 ++ .../H2_hamiltonians/PESMap24atdistance2.6.txt | 10 ++ .../H2_hamiltonians/PESMap25atdistance2.7.txt | 10 ++ .../H2_hamiltonians/PESMap26atdistance2.8.txt | 10 ++ .../H2_hamiltonians/PESMap27atdistance2.9.txt | 10 ++ .../H2_hamiltonians/PESMap28atdistance3.txt | 10 ++ .../H2_hamiltonians/PESMap29atdistance3.1.txt | 10 ++ .../H2_hamiltonians/PESMap2atdistance0.4.txt | 10 ++ .../H2_hamiltonians/PESMap30atdistance3.2.txt | 10 ++ .../H2_hamiltonians/PESMap31atdistance3.3.txt | 10 ++ .../H2_hamiltonians/PESMap32atdistance3.4.txt | 10 ++ .../H2_hamiltonians/PESMap33atdistance3.5.txt | 10 ++ .../H2_hamiltonians/PESMap34atdistance3.6.txt | 10 ++ .../H2_hamiltonians/PESMap35atdistance3.7.txt | 10 ++ .../H2_hamiltonians/PESMap36atdistance3.8.txt | 10 ++ .../H2_hamiltonians/PESMap37atdistance3.9.txt | 10 ++ .../H2_hamiltonians/PESMap38atdistance4.txt | 10 ++ .../H2_hamiltonians/PESMap3atdistance0.5.txt | 10 ++ .../H2_hamiltonians/PESMap4atdistance0.6.txt | 10 ++ .../H2_hamiltonians/PESMap5atdistance0.7.txt | 10 ++ .../H2_hamiltonians/PESMap6atdistance0.8.txt | 10 ++ .../H2_hamiltonians/PESMap7atdistance0.9.txt | 10 ++ .../H2_hamiltonians/PESMap8atdistance1.txt | 10 ++ .../H2_hamiltonians/PESMap9atdistance1.1.txt | 10 ++ tutorial/sections/quantum_chemistry.ipynb | 118 +++++++++++------- 41 files changed, 462 insertions(+), 48 deletions(-) create mode 100755 tutorial/sections/H2_hamiltonians/PESMap0atdistance0.2.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap10atdistance1.2.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap11atdistance1.3.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap12atdistance1.4.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap13atdistance1.5.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap14atdistance1.6.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap15atdistance1.7.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap16atdistance1.8.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap17atdistance1.9.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap18atdistance2.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap19atdistance2.1.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap1atdistance0.3.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap20atdistance2.2.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap21atdistance2.3.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap22atdistance2.4.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap23atdistance2.5.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap24atdistance2.6.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap25atdistance2.7.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap26atdistance2.8.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap27atdistance2.9.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap28atdistance3.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap29atdistance3.1.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap2atdistance0.4.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap30atdistance3.2.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap31atdistance3.3.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap32atdistance3.4.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap33atdistance3.5.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap34atdistance3.6.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap35atdistance3.7.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap36atdistance3.8.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap37atdistance3.9.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap38atdistance4.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap3atdistance0.5.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap4atdistance0.6.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap5atdistance0.7.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap6atdistance0.8.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap7atdistance0.9.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap8atdistance1.txt create mode 100755 tutorial/sections/H2_hamiltonians/PESMap9atdistance1.1.txt diff --git a/tools/optimizationtools.py b/tools/optimizationtools.py index 6550e86f31..e4b1689b96 100644 --- a/tools/optimizationtools.py +++ b/tools/optimizationtools.py @@ -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]) diff --git a/tutorial/sections/H2_hamiltonians/PESMap0atdistance0.2.txt b/tutorial/sections/H2_hamiltonians/PESMap0atdistance0.2.txt new file mode 100755 index 0000000000..fa7ffd63b3 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap0atdistance0.2.txt @@ -0,0 +1,10 @@ +II +-0.63444908367400488 +ZI +0.93039460801675888 +IZ +0.93039460801675911 +ZZ +0.013526988052545402 +XX +0.15797133539098221 diff --git a/tutorial/sections/H2_hamiltonians/PESMap10atdistance1.2.txt b/tutorial/sections/H2_hamiltonians/PESMap10atdistance1.2.txt new file mode 100755 index 0000000000..5f2a05aa2a --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap10atdistance1.2.txt @@ -0,0 +1,10 @@ +II +-1.0526705559236769 +ZI +0.20019027140892859 +IZ +0.20019027140892867 +ZZ +0.006963127832254612 +XX +0.20979164336117823 diff --git a/tutorial/sections/H2_hamiltonians/PESMap11atdistance1.3.txt b/tutorial/sections/H2_hamiltonians/PESMap11atdistance1.3.txt new file mode 100755 index 0000000000..6a2cbef195 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap11atdistance1.3.txt @@ -0,0 +1,10 @@ +II +-1.0399157708520572 +ZI +-0.17310902665470002 +IZ +-0.17310902665470002 +ZZ +0.0059630046462814668 +XX +0.21641761379277691 diff --git a/tutorial/sections/H2_hamiltonians/PESMap12atdistance1.4.txt b/tutorial/sections/H2_hamiltonians/PESMap12atdistance1.4.txt new file mode 100755 index 0000000000..4d62d3818b --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap12atdistance1.4.txt @@ -0,0 +1,10 @@ +II +-1.0253589912520973 +ZI +0.14956828171611936 +IZ +0.14956828171611924 +ZZ +0.0050307009830743155 +XX +0.22302208221006781 diff --git a/tutorial/sections/H2_hamiltonians/PESMap13atdistance1.5.txt b/tutorial/sections/H2_hamiltonians/PESMap13atdistance1.5.txt new file mode 100755 index 0000000000..91f8621b6a --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap13atdistance1.5.txt @@ -0,0 +1,10 @@ +II +-1.0096438533439631 +ZI +0.12910132587794909 +IZ +0.12910132587794898 +ZZ +0.0041884054836630602 +XX +0.22953587766748473 diff --git a/tutorial/sections/H2_hamiltonians/PESMap14atdistance1.6.txt b/tutorial/sections/H2_hamiltonians/PESMap14atdistance1.6.txt new file mode 100755 index 0000000000..b411cf15f1 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap14atdistance1.6.txt @@ -0,0 +1,10 @@ +II +-0.99329888855095949 +ZI +0.11130900085876314 +IZ +0.11130900085876311 +ZZ +0.0034480791742557138 +XX +0.23590135756835237 diff --git a/tutorial/sections/H2_hamiltonians/PESMap15atdistance1.7.txt b/tutorial/sections/H2_hamiltonians/PESMap15atdistance1.7.txt new file mode 100755 index 0000000000..73c1d6567c --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap15atdistance1.7.txt @@ -0,0 +1,10 @@ +II +-0.97673754121163714 +ZI +0.0958445077110293 +IZ +0.09584450771102912 +ZZ +0.0028075358894698588 +XX +0.24207289860816317 diff --git a/tutorial/sections/H2_hamiltonians/PESMap16atdistance1.8.txt b/tutorial/sections/H2_hamiltonians/PESMap16atdistance1.8.txt new file mode 100755 index 0000000000..39f781047c --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap16atdistance1.8.txt @@ -0,0 +1,10 @@ +II +-0.96028037695211821 +ZI +0.082409875704290592 +IZ +0.082409875704290647 +ZZ +0.00226469518310915 +XX +0.24801715568418908 diff --git a/tutorial/sections/H2_hamiltonians/PESMap17atdistance1.9.txt b/tutorial/sections/H2_hamiltonians/PESMap17atdistance1.9.txt new file mode 100755 index 0000000000..605b8af284 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap17atdistance1.9.txt @@ -0,0 +1,10 @@ +II +-0.94416429519529532 +ZI +-0.070745812247514167 +IZ +-0.070745812247513917 +ZZ +0.0018086261883964172 +XX +0.25371023338888415 diff --git a/tutorial/sections/H2_hamiltonians/PESMap18atdistance2.txt b/tutorial/sections/H2_hamiltonians/PESMap18atdistance2.txt new file mode 100755 index 0000000000..9bdb448799 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap18atdistance2.txt @@ -0,0 +1,10 @@ +II +-0.92855622812007999 +ZI +0.060627278815774371 +IZ +0.060627278815774455 +ZZ +0.0014306027093105578 +XX +0.25913855677496928 diff --git a/tutorial/sections/H2_hamiltonians/PESMap19atdistance2.1.txt b/tutorial/sections/H2_hamiltonians/PESMap19atdistance2.1.txt new file mode 100755 index 0000000000..4f592bbc4e --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap19atdistance2.1.txt @@ -0,0 +1,10 @@ +II +-0.91356793017320581 +ZI +0.051860405681753784 +IZ +0.051860405681753555 +ZZ +0.0011211091024976305 +XX +0.26429356984596153 diff --git a/tutorial/sections/H2_hamiltonians/PESMap1atdistance0.3.txt b/tutorial/sections/H2_hamiltonians/PESMap1atdistance0.3.txt new file mode 100755 index 0000000000..4ccdf10225 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap1atdistance0.3.txt @@ -0,0 +1,10 @@ +II +-0.75369816321016647 +ZI +0.80869539252831746 +IZ +0.80869539252831713 +ZZ +0.013335957448084163 +XX +0.16081913496899852 diff --git a/tutorial/sections/H2_hamiltonians/PESMap20atdistance2.2.txt b/tutorial/sections/H2_hamiltonians/PESMap20atdistance2.2.txt new file mode 100755 index 0000000000..06208773e1 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap20atdistance2.2.txt @@ -0,0 +1,10 @@ +II +-0.89926678358045664 +ZI +0.04426960867862928 +IZ +0.044269608678628974 +ZZ +0.00086875625704091464 +XX +0.26917399037233819 diff --git a/tutorial/sections/H2_hamiltonians/PESMap21atdistance2.3.txt b/tutorial/sections/H2_hamiltonians/PESMap21atdistance2.3.txt new file mode 100755 index 0000000000..dce0f938b6 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap21atdistance2.3.txt @@ -0,0 +1,10 @@ +II +-0.88568855350119358 +ZI +0.037704116778690441 +IZ +0.037704116778690219 +ZZ 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b/tutorial/sections/H2_hamiltonians/PESMap24atdistance2.6.txt new file mode 100755 index 0000000000..8d90d75c77 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap24atdistance2.6.txt @@ -0,0 +1,10 @@ +II +-0.84930627058408348 +ZI +0.022915060526454471 +IZ +0.022915060526454575 +ZZ +0.00027922550406937752 +XX +0.28605015479247536 diff --git a/tutorial/sections/H2_hamiltonians/PESMap25atdistance2.7.txt b/tutorial/sections/H2_hamiltonians/PESMap25atdistance2.7.txt new file mode 100755 index 0000000000..fc52700d0f --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap25atdistance2.7.txt @@ -0,0 +1,10 @@ +II +-0.83856589736311293 +ZI +-0.019284805366273042 +IZ +-0.019284805366273097 +ZZ +0.00020410556745388553 +XX +0.28965647949032908 diff --git a/tutorial/sections/H2_hamiltonians/PESMap26atdistance2.8.txt b/tutorial/sections/H2_hamiltonians/PESMap26atdistance2.8.txt new file mode 100755 index 0000000000..8ae3bb0f55 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap26atdistance2.8.txt @@ -0,0 +1,10 @@ +II +-0.82846736706522262 +ZI +0.016169986158359448 +IZ +0.016169986158359545 +ZZ +0.00014697602504364082 +XX +0.29304330955876917 diff --git a/tutorial/sections/H2_hamiltonians/PESMap27atdistance2.9.txt b/tutorial/sections/H2_hamiltonians/PESMap27atdistance2.9.txt new file mode 100755 index 0000000000..b726471466 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap27atdistance2.9.txt @@ -0,0 +1,10 @@ +II +-0.8189736688603495 +ZI +0.013505530227536519 +IZ +0.013505530227536366 +ZZ +0.00010420235495178787 +XX +0.29622352981967115 diff --git a/tutorial/sections/H2_hamiltonians/PESMap28atdistance3.txt b/tutorial/sections/H2_hamiltonians/PESMap28atdistance3.txt new file mode 100755 index 0000000000..80a3301aff --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap28atdistance3.txt @@ -0,0 +1,10 @@ +II +-0.81004364017976838 +ZI +0.011235404219805664 +IZ +0.011235404219806164 +ZZ 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b/tutorial/sections/H2_hamiltonians/PESMap30atdistance3.2.txt new file mode 100755 index 0000000000..37b11e4ecb --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap30atdistance3.2.txt @@ -0,0 +1,10 @@ +II +-0.7937327867754288 +ZI +0.0076801030443120755 +IZ +0.0076801030443118257 +ZZ +3.4820082292705279e-05 +XX +0.30466387558149721 diff --git a/tutorial/sections/H2_hamiltonians/PESMap31atdistance3.3.txt b/tutorial/sections/H2_hamiltonians/PESMap31atdistance3.3.txt new file mode 100755 index 0000000000..8ed6642670 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap31atdistance3.3.txt @@ -0,0 +1,10 @@ +II +-0.78627811357200206 +ZI +-0.0063112535739077713 +IZ +-0.0063112535739077436 +ZZ +2.3776105216685717e-05 +XX +0.30715370895162086 diff --git a/tutorial/sections/H2_hamiltonians/PESMap32atdistance3.4.txt b/tutorial/sections/H2_hamiltonians/PESMap32atdistance3.4.txt new file mode 100755 index 0000000000..b9d9e751d0 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap32atdistance3.4.txt @@ -0,0 +1,10 @@ +II +-0.77924328504411911 +ZI +0.005166173843327973 +IZ +0.0051661738433280702 +ZZ +1.5986550513130693e-05 +XX +0.3095012359373755 diff --git a/tutorial/sections/H2_hamiltonians/PESMap33atdistance3.5.txt b/tutorial/sections/H2_hamiltonians/PESMap33atdistance3.5.txt new file mode 100755 index 0000000000..b261cd1cdc --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap33atdistance3.5.txt @@ -0,0 +1,10 @@ +II +-0.7725998923231493 +ZI +0.0042117216124792772 +IZ +0.0042117216124794021 +ZZ +1.0251686055257059e-05 +XX +0.31171775178391858 diff --git a/tutorial/sections/H2_hamiltonians/PESMap34atdistance3.6.txt b/tutorial/sections/H2_hamiltonians/PESMap34atdistance3.6.txt new file mode 100755 index 0000000000..57fa169567 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap34atdistance3.6.txt @@ -0,0 +1,10 @@ +II +-0.76632003182029862 +ZI +0.0034198790623681391 +IZ +0.0034198790623682362 +ZZ 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b/tutorial/sections/H2_hamiltonians/PESMap37atdistance3.9.txt new file mode 100755 index 0000000000..9ddff121d3 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap37atdistance3.9.txt @@ -0,0 +1,10 @@ +II +-0.74938182586787261 +ZI +0.0017925745111192354 +IZ +0.0017925745111193464 +ZZ +1.4704462543424501e-06 +XX +0.31946166068949688 diff --git a/tutorial/sections/H2_hamiltonians/PESMap38atdistance4.txt b/tutorial/sections/H2_hamiltonians/PESMap38atdistance4.txt new file mode 100755 index 0000000000..47517305eb --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap38atdistance4.txt @@ -0,0 +1,10 @@ +II +-0.74429692505207301 +ZI +0.0014336017482368263 +IZ +0.0014336017482368679 +ZZ +7.2141802516523246e-07 +XX +0.32115700615278464 diff --git a/tutorial/sections/H2_hamiltonians/PESMap3atdistance0.5.txt b/tutorial/sections/H2_hamiltonians/PESMap3atdistance0.5.txt new file mode 100755 index 0000000000..aae871ff72 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap3atdistance0.5.txt @@ -0,0 +1,10 @@ +II +-0.94770459608367519 +ZI +0.58308174372535082 +IZ +0.58308174372535082 +ZZ +0.012517946865163054 +XX +0.16887019746635745 diff --git a/tutorial/sections/H2_hamiltonians/PESMap4atdistance0.6.txt b/tutorial/sections/H2_hamiltonians/PESMap4atdistance0.6.txt new file mode 100755 index 0000000000..3ecb2ed1cc --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap4atdistance0.6.txt @@ -0,0 +1,10 @@ +II +-1.0071247114292199 +ZI +0.49401763712332147 +IZ +0.49401763712332125 +ZZ +0.012069257058235333 +XX +0.17373018777655092 diff --git a/tutorial/sections/H2_hamiltonians/PESMap5atdistance0.7.txt b/tutorial/sections/H2_hamiltonians/PESMap5atdistance0.7.txt new file mode 100755 index 0000000000..0519b25636 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap5atdistance0.7.txt @@ -0,0 +1,10 @@ +II +-1.0439137050560034 +ZI +0.42045411460602022 +IZ +0.42045411460602017 +ZZ +0.011506018027931303 +XX +0.17900008076954921 diff --git a/tutorial/sections/H2_hamiltonians/PESMap6atdistance0.8.txt b/tutorial/sections/H2_hamiltonians/PESMap6atdistance0.8.txt new file mode 100755 index 0000000000..32b714281f --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap6atdistance0.8.txt @@ -0,0 +1,10 @@ +II +-1.0632129583259569 +ZI +-0.35995882041428146 +IZ +-0.35995882041428157 +ZZ +0.01080970752866689 +XX +0.18462735929236296 diff --git a/tutorial/sections/H2_hamiltonians/PESMap7atdistance0.9.txt b/tutorial/sections/H2_hamiltonians/PESMap7atdistance0.9.txt new file mode 100755 index 0000000000..3ef0784a1b --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap7atdistance0.9.txt @@ -0,0 +1,10 @@ +II +-1.0702821121186525 +ZI +0.30978862893702735 +IZ +0.30978862893702758 +ZZ +0.0099707920334989042 +XX +0.19057124394815306 diff --git a/tutorial/sections/H2_hamiltonians/PESMap8atdistance1.txt b/tutorial/sections/H2_hamiltonians/PESMap8atdistance1.txt new file mode 100755 index 0000000000..0fb39714b0 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap8atdistance1.txt @@ -0,0 +1,10 @@ +II +-1.0692425120891662 +ZI +0.26752894034608155 +IZ +0.2675289403460821 +ZZ +0.0090152041695621687 +XX +0.19679094828429972 diff --git a/tutorial/sections/H2_hamiltonians/PESMap9atdistance1.1.txt b/tutorial/sections/H2_hamiltonians/PESMap9atdistance1.1.txt new file mode 100755 index 0000000000..3f09083147 --- /dev/null +++ b/tutorial/sections/H2_hamiltonians/PESMap9atdistance1.1.txt @@ -0,0 +1,10 @@ +II +-1.0628131426642062 +ZI +0.23139519597162184 +IZ +0.23139519597162203 +ZZ +0.0079944786943387247 +XX +0.20322234234589942 diff --git a/tutorial/sections/quantum_chemistry.ipynb b/tutorial/sections/quantum_chemistry.ipynb index ef434cb5fb..de4322ef20 100644 --- a/tutorial/sections/quantum_chemistry.ipynb +++ b/tutorial/sections/quantum_chemistry.ipynb @@ -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",