Overview
- Author
- QunaSys
- Date
- 20190724
- Case
- 1 (Expectation value)
- Method
-
- Ansatz
- UCCSD
- Optimizer
- BFGS
- Mapping
- bravyi-kitaev
- Score
- 0.41544
Data
Summary
Molecule |
Mean score |
Mean # of func. eval. |
H2line |
0.000000 |
19.75 |
H4line |
0.638609 |
156.00 |
H4ring |
0.750607 |
237.00 |
H6line |
0.622872 |
756.00 |
H6ring |
0.432736 |
616.00 |
LiH |
0.145256 |
575.00 |
BeH2 |
0.306564 |
1518.00 |
H2O |
0.426841 |
1080.38 |
all |
0.415436 |
619.77 |
H2
Score for molecule: 0.000000

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-1.055160 |
-1.055160 |
1.2164e-13 |
16 |
0.6 |
-1.116286 |
-1.116286 |
6.6909e-11 |
12 |
0.7 |
-1.136189 |
-1.136189 |
8.9486e-12 |
16 |
0.8 |
-1.134148 |
-1.134148 |
2.777e-11 |
16 |
0.9 |
-1.120560 |
-1.120560 |
4.5083e-13 |
20 |
1.0 |
-1.101150 |
-1.101150 |
3.3163e-13 |
20 |
1.1 |
-1.079193 |
-1.079193 |
1.2609e-13 |
20 |
1.2 |
-1.056741 |
-1.056741 |
1.1576e-13 |
20 |
1.3 |
-1.035186 |
-1.035186 |
1.9569e-14 |
20 |
1.4 |
-1.015468 |
-1.015468 |
8.2922e-13 |
20 |
1.5 |
-0.998149 |
-0.998149 |
3.0413e-12 |
20 |
1.6 |
-0.983473 |
-0.983473 |
7.2892e-14 |
20 |
1.7 |
-0.971427 |
-0.971427 |
5.3544e-15 |
24 |
1.8 |
-0.961817 |
-0.961817 |
6.1999e-14 |
24 |
1.9 |
-0.954339 |
-0.954339 |
9.9513e-14 |
24 |
2.0 |
-0.948641 |
-0.948641 |
2.1832e-13 |
24 |
H4 (line)
Score for molecule: 0.638609

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-1.653117 |
-1.645573 |
0.031294 |
176 |
0.6 |
-1.960194 |
-1.949818 |
0.062062 |
160 |
0.7 |
-2.106997 |
-2.092919 |
0.13564 |
144 |
0.8 |
-2.167561 |
-2.148740 |
0.40385 |
128 |
0.9 |
-2.180317 |
-2.155484 |
4.1511 |
128 |
1.0 |
-2.166387 |
-2.133987 |
0.59161 |
128 |
1.1 |
-2.137971 |
-2.096125 |
0.41842 |
128 |
1.2 |
-2.102608 |
-2.049137 |
0.37771 |
144 |
1.3 |
-2.065229 |
-1.997734 |
0.37689 |
144 |
1.4 |
-2.029070 |
-1.945077 |
0.39585 |
144 |
1.5 |
-1.996150 |
-1.893300 |
0.42745 |
160 |
1.6 |
-1.967560 |
-1.843825 |
0.46813 |
160 |
1.7 |
-1.943692 |
-1.797588 |
0.51541 |
160 |
1.8 |
-1.924431 |
-1.755178 |
0.56704 |
192 |
1.9 |
-1.909332 |
-1.716940 |
0.6208 |
192 |
2.0 |
-1.897781 |
-1.683034 |
0.6745 |
208 |
H4 (ring)
Score for molecule: 0.750607

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-0.610130 |
-0.579188 |
0.026738 |
240 |
0.6 |
-1.191866 |
-1.153454 |
0.039029 |
208 |
0.7 |
-1.528728 |
-1.482251 |
0.054869 |
208 |
0.8 |
-1.728281 |
-1.673366 |
0.075571 |
208 |
0.9 |
-1.846741 |
-1.782952 |
0.10326 |
208 |
1.0 |
-1.915107 |
-1.841795 |
0.14086 |
208 |
1.1 |
-1.951594 |
-1.867903 |
0.19222 |
208 |
1.2 |
-1.967550 |
-1.872488 |
0.26261 |
208 |
1.3 |
-1.970378 |
-1.862880 |
0.35942 |
208 |
1.4 |
-1.965081 |
-1.844058 |
0.49299 |
208 |
1.5 |
-1.955125 |
-1.819510 |
0.67777 |
224 |
1.6 |
-1.942939 |
-1.791736 |
0.93321 |
240 |
1.7 |
-1.930208 |
-1.762574 |
1.2843 |
272 |
1.8 |
-1.918054 |
-1.733391 |
1.761 |
272 |
1.9 |
-1.907157 |
-1.705207 |
2.3946 |
304 |
2.0 |
-1.897849 |
-1.678772 |
3.2112 |
368 |
H6 (line)
Score for molecule: 0.622872

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-2.225106 |
-2.206434 |
0.035528 |
952 |
0.6 |
-2.796419 |
-2.771790 |
0.067432 |
1064 |
0.7 |
-3.077995 |
-3.046023 |
0.13676 |
1120 |
0.8 |
-3.204412 |
-3.163525 |
0.33844 |
896 |
0.9 |
-3.244542 |
-3.192761 |
2.2647 |
896 |
1.0 |
-3.236066 |
-3.170859 |
1.0401 |
672 |
1.1 |
-3.200684 |
-3.118927 |
0.59259 |
672 |
1.2 |
-3.151729 |
-3.049740 |
0.49941 |
560 |
1.3 |
-3.097826 |
-2.971524 |
0.48181 |
560 |
1.4 |
-3.044600 |
-2.889741 |
0.49628 |
560 |
1.5 |
-2.995565 |
-2.808056 |
0.52949 |
560 |
1.6 |
-2.952668 |
-2.728926 |
0.57559 |
616 |
1.7 |
-2.916689 |
-2.653987 |
0.63102 |
616 |
1.8 |
-2.887569 |
-2.584313 |
0.69291 |
728 |
1.9 |
-2.864703 |
-2.520576 |
0.75855 |
784 |
2.0 |
-2.847192 |
-2.463156 |
0.82533 |
840 |
H6 (ring)
Score for molecule: 0.432736

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-1.732928 |
-1.714812 |
0.016101 |
840 |
0.6 |
-2.529473 |
-2.507963 |
0.029417 |
840 |
0.7 |
-2.935542 |
-2.910174 |
0.056179 |
840 |
0.8 |
-3.134937 |
-3.105501 |
0.12555 |
672 |
0.9 |
-3.219318 |
-3.183226 |
0.33916 |
672 |
1.0 |
-3.237477 |
-3.195535 |
1.4596 |
616 |
1.1 |
-3.217049 |
-3.165737 |
0.43308 |
504 |
1.2 |
-3.174998 |
-3.107150 |
0.40638 |
448 |
1.3 |
-3.122534 |
-3.042559 |
0.32659 |
448 |
1.4 |
-3.067346 |
-2.960701 |
0.37733 |
504 |
1.5 |
-3.014648 |
-2.884232 |
0.39475 |
504 |
1.6 |
-2.967691 |
-2.802250 |
0.45581 |
504 |
1.7 |
-2.928060 |
-2.721590 |
0.52996 |
560 |
1.8 |
-2.896015 |
-2.651390 |
0.59191 |
560 |
1.9 |
-2.870937 |
-2.598751 |
0.62659 |
672 |
2.0 |
-2.851786 |
-2.517893 |
0.75537 |
672 |
LiH
Score for molecule: 0.145256

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-7.050225 |
-7.047016 |
0.0011408 |
644 |
0.6 |
-7.319319 |
-7.316482 |
0.0023452 |
598 |
0.7 |
-7.505052 |
-7.502141 |
0.0033041 |
736 |
0.8 |
-7.634167 |
-7.631186 |
0.0047359 |
598 |
0.9 |
-7.723424 |
-7.720441 |
0.0073791 |
598 |
1.0 |
-7.784460 |
-7.781487 |
0.012054 |
598 |
1.1 |
-7.825537 |
-7.822455 |
0.018815 |
368 |
1.2 |
-7.852431 |
-7.849324 |
0.034681 |
598 |
1.3 |
-7.869140 |
-7.865850 |
0.063774 |
598 |
1.4 |
-7.878454 |
-7.874863 |
0.13188 |
460 |
1.5 |
-7.882362 |
-7.878428 |
0.56083 |
598 |
1.6 |
-7.882324 |
-7.877889 |
0.63252 |
552 |
1.7 |
-7.879434 |
-7.874374 |
0.27059 |
598 |
1.8 |
-7.874524 |
-7.868658 |
0.20731 |
552 |
1.9 |
-7.868241 |
-7.861355 |
0.18783 |
552 |
2.0 |
-7.861088 |
-7.852922 |
0.1849 |
552 |
BeH2
Score for molecule: 0.306564

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-13.689960 |
-13.679731 |
0.0031282 |
1932 |
0.6 |
-14.405649 |
-14.395950 |
0.005456 |
1564 |
0.7 |
-14.871330 |
-14.862229 |
0.0097924 |
1656 |
0.8 |
-15.172805 |
-15.163984 |
0.017442 |
1748 |
0.9 |
-15.364151 |
-15.355060 |
0.030715 |
1564 |
1.0 |
-15.481741 |
-15.471805 |
0.055094 |
1472 |
1.1 |
-15.549638 |
-15.538303 |
0.10644 |
1564 |
1.2 |
-15.583812 |
-15.570525 |
0.2538 |
1380 |
1.3 |
-15.595047 |
-15.579317 |
2.3021 |
1564 |
1.4 |
-15.590743 |
-15.571919 |
0.5852 |
1196 |
1.5 |
-15.576051 |
-15.553643 |
0.324 |
1472 |
1.6 |
-15.554624 |
-15.527863 |
0.26022 |
1472 |
1.7 |
-15.529121 |
-15.497203 |
0.23787 |
1288 |
1.8 |
-15.501545 |
-15.463617 |
0.232 |
1380 |
1.9 |
-15.473451 |
-15.428572 |
0.23556 |
1656 |
2.0 |
-15.446094 |
-15.393181 |
0.24621 |
1380 |
H2O
Score for molecule: 0.426841

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-73.137644 |
-73.133508 |
0.01351 |
469 |
0.6 |
-74.146204 |
-74.139452 |
0.026098 |
1005 |
0.7 |
-74.643693 |
-74.633354 |
0.051014 |
1005 |
0.8 |
-74.883002 |
-74.868143 |
0.1068 |
871 |
0.9 |
-74.987693 |
-74.967021 |
0.2688 |
871 |
1.0 |
-75.019855 |
-74.992205 |
1.9879 |
1206 |
1.1 |
-75.012625 |
-74.976702 |
0.77383 |
1139 |
1.2 |
-74.985126 |
-74.939783 |
0.44163 |
1005 |
1.3 |
-74.948779 |
-74.892794 |
0.36653 |
938 |
1.4 |
-74.910271 |
-74.842621 |
0.34438 |
1005 |
1.5 |
-74.873436 |
-74.793004 |
0.34503 |
1005 |
1.6 |
-74.840495 |
-74.747190 |
0.35339 |
1340 |
1.7 |
-74.812706 |
-74.705506 |
0.37297 |
1340 |
1.8 |
-74.790571 |
-74.669368 |
0.39793 |
1407 |
1.9 |
-74.773909 |
-74.638670 |
0.42792 |
1407 |
2.0 |
-74.761988 |
-74.589615 |
0.55168 |
1273 |