Overview
- Author
- QunaSys
- Date
- 20190725
- Case
- 1 (Expectation value)
- Method
-
- Ansatz
- UCCSD
- Optimizer
- Powell
- Mapping
- bravyi-kitaev
- Score
- 0.42344
Data
Summary
Molecule |
Mean score |
Mean # of func. eval. |
H2line |
0.000000 |
64.56 |
H4line |
0.638672 |
598.75 |
H4ring |
0.758955 |
589.06 |
H6line |
0.641348 |
608.75 |
H6ring |
0.431556 |
612.19 |
LiH |
0.146347 |
562.44 |
BeH2 |
0.311428 |
1055.81 |
H2O |
0.459211 |
768.81 |
all |
0.423440 |
607.55 |
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 |
4.5952e-14 |
73 |
0.6 |
-1.116286 |
-1.116286 |
1.0563e-13 |
53 |
0.7 |
-1.136189 |
-1.136189 |
3.5795e-12 |
50 |
0.8 |
-1.134148 |
-1.134148 |
7.0303e-14 |
56 |
0.9 |
-1.120560 |
-1.120560 |
9.2818e-14 |
74 |
1.0 |
-1.101150 |
-1.101150 |
3.6848e-14 |
51 |
1.1 |
-1.079193 |
-1.079193 |
3.4388e-14 |
58 |
1.2 |
-1.056741 |
-1.056741 |
1.378e-14 |
45 |
1.3 |
-1.035186 |
-1.035186 |
4.3487e-15 |
57 |
1.4 |
-1.015468 |
-1.015468 |
1.8225e-14 |
57 |
1.5 |
-0.998149 |
-0.998149 |
1.5956e-15 |
52 |
1.6 |
-0.983473 |
-0.983473 |
2.1651e-15 |
48 |
1.7 |
-0.971427 |
-0.971427 |
1.2717e-14 |
81 |
1.8 |
-0.961817 |
-0.961817 |
6.3265e-15 |
97 |
1.9 |
-0.954339 |
-0.954339 |
4.2475e-15 |
88 |
2.0 |
-0.948641 |
-0.948641 |
5.8846e-16 |
93 |
H4 (line)
Score for molecule: 0.638672

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 |
642 |
0.6 |
-1.960194 |
-1.949818 |
0.062062 |
683 |
0.7 |
-2.106997 |
-2.092919 |
0.13564 |
604 |
0.8 |
-2.167561 |
-2.148740 |
0.40385 |
614 |
0.9 |
-2.180317 |
-2.155484 |
4.1511 |
563 |
1.0 |
-2.166387 |
-2.133987 |
0.59161 |
661 |
1.1 |
-2.137971 |
-2.096124 |
0.41843 |
517 |
1.2 |
-2.102608 |
-2.049137 |
0.37771 |
562 |
1.3 |
-2.065229 |
-1.997734 |
0.37689 |
594 |
1.4 |
-2.029070 |
-1.945077 |
0.39585 |
675 |
1.5 |
-1.996150 |
-1.893299 |
0.42745 |
615 |
1.6 |
-1.967560 |
-1.843824 |
0.46814 |
568 |
1.7 |
-1.943692 |
-1.797582 |
0.51543 |
551 |
1.8 |
-1.924431 |
-1.755158 |
0.56712 |
565 |
1.9 |
-1.909332 |
-1.716879 |
0.62102 |
554 |
2.0 |
-1.897781 |
-1.682850 |
0.67515 |
612 |
H4 (ring)
Score for molecule: 0.758955

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-0.610130 |
-0.579187 |
0.026743 |
573 |
0.6 |
-1.191866 |
-1.153454 |
0.039038 |
600 |
0.7 |
-1.528728 |
-1.482250 |
0.054885 |
652 |
0.8 |
-1.728281 |
-1.673363 |
0.075599 |
584 |
0.9 |
-1.846741 |
-1.782946 |
0.10332 |
624 |
1.0 |
-1.915107 |
-1.841783 |
0.14095 |
561 |
1.1 |
-1.951594 |
-1.867880 |
0.19239 |
573 |
1.2 |
-1.967550 |
-1.872444 |
0.26294 |
623 |
1.3 |
-1.970378 |
-1.861660 |
0.36946 |
505 |
1.4 |
-1.965081 |
-1.843902 |
0.4943 |
546 |
1.5 |
-1.955125 |
-1.819221 |
0.68044 |
644 |
1.6 |
-1.942939 |
-1.791228 |
0.93857 |
578 |
1.7 |
-1.930208 |
-1.761689 |
1.2952 |
602 |
1.8 |
-1.918054 |
-1.731979 |
1.7816 |
539 |
1.9 |
-1.907157 |
-1.703136 |
2.4305 |
541 |
2.0 |
-1.897849 |
-1.676536 |
3.2574 |
680 |
H6 (line)
Score for molecule: 0.641348

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-2.225106 |
-2.206273 |
0.036429 |
631 |
0.6 |
-2.796419 |
-2.771501 |
0.06919 |
636 |
0.7 |
-3.077995 |
-3.045554 |
0.1404 |
611 |
0.8 |
-3.204412 |
-3.162837 |
0.34788 |
620 |
0.9 |
-3.244542 |
-3.191765 |
2.325 |
601 |
1.0 |
-3.236066 |
-3.169527 |
1.0657 |
633 |
1.1 |
-3.200684 |
-3.117146 |
0.60809 |
601 |
1.2 |
-3.151729 |
-3.047382 |
0.51298 |
592 |
1.3 |
-3.097826 |
-2.968454 |
0.49524 |
605 |
1.4 |
-3.044600 |
-2.885795 |
0.51051 |
607 |
1.5 |
-2.995565 |
-2.803099 |
0.54497 |
599 |
1.6 |
-2.952668 |
-2.722716 |
0.59308 |
598 |
1.7 |
-2.916689 |
-2.646263 |
0.6512 |
595 |
1.8 |
-2.887569 |
-2.574755 |
0.71656 |
599 |
1.9 |
-2.864703 |
-2.508907 |
0.78633 |
609 |
2.0 |
-2.847192 |
-2.449047 |
0.858 |
603 |
H6 (ring)
Score for molecule: 0.431556

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-1.732928 |
-1.714742 |
0.016481 |
625 |
0.6 |
-2.529473 |
-2.507843 |
0.030153 |
606 |
0.7 |
-2.935542 |
-2.909974 |
0.057639 |
650 |
0.8 |
-3.134937 |
-3.105187 |
0.12874 |
612 |
0.9 |
-3.219318 |
-3.182772 |
0.34935 |
635 |
1.0 |
-3.237477 |
-3.194834 |
1.2429 |
611 |
1.1 |
-3.217049 |
-3.164763 |
0.44913 |
600 |
1.2 |
-3.174998 |
-3.105830 |
0.4172 |
605 |
1.3 |
-3.122534 |
-3.040621 |
0.33784 |
609 |
1.4 |
-3.067346 |
-2.958223 |
0.3881 |
613 |
1.5 |
-3.014648 |
-2.880570 |
0.40829 |
596 |
1.6 |
-2.967691 |
-2.797385 |
0.47144 |
610 |
1.7 |
-2.928060 |
-2.715646 |
0.54708 |
601 |
1.8 |
-2.896015 |
-2.643411 |
0.61338 |
600 |
1.9 |
-2.870937 |
-2.586646 |
0.65783 |
607 |
2.0 |
-2.851786 |
-2.504152 |
0.78931 |
615 |
LiH
Score for molecule: 0.146347

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-7.050225 |
-7.046667 |
0.00080026 |
575 |
0.6 |
-7.319319 |
-7.316284 |
0.0021113 |
579 |
0.7 |
-7.505052 |
-7.502004 |
0.0031137 |
565 |
0.8 |
-7.634167 |
-7.631082 |
0.0045825 |
588 |
0.9 |
-7.723424 |
-7.720361 |
0.007292 |
553 |
1.0 |
-7.784460 |
-7.781419 |
0.012032 |
576 |
1.1 |
-7.825537 |
-7.822468 |
0.020196 |
563 |
1.2 |
-7.852431 |
-7.849262 |
0.034811 |
560 |
1.3 |
-7.869140 |
-7.865788 |
0.064065 |
546 |
1.4 |
-7.878454 |
-7.874828 |
0.13884 |
558 |
1.5 |
-7.882362 |
-7.878358 |
0.55123 |
570 |
1.6 |
-7.882324 |
-7.877822 |
0.63549 |
556 |
1.7 |
-7.879434 |
-7.874289 |
0.27651 |
554 |
1.8 |
-7.874524 |
-7.868561 |
0.21108 |
542 |
1.9 |
-7.868241 |
-7.861240 |
0.19119 |
559 |
2.0 |
-7.861088 |
-7.852784 |
0.18821 |
555 |
BeH2
Score for molecule: 0.311428

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-13.689960 |
-13.678884 |
0.0027981 |
1092 |
0.6 |
-14.405649 |
-14.395243 |
0.005045 |
1102 |
0.7 |
-14.871330 |
-14.861617 |
0.0092481 |
1067 |
0.8 |
-15.172805 |
-15.163447 |
0.016687 |
1089 |
0.9 |
-15.364151 |
-15.354946 |
0.031166 |
1066 |
1.0 |
-15.481741 |
-15.471680 |
0.055913 |
1061 |
1.1 |
-15.549638 |
-15.538156 |
0.108 |
1049 |
1.2 |
-15.583812 |
-15.570371 |
0.25946 |
1056 |
1.3 |
-15.595047 |
-15.579106 |
2.3382 |
1029 |
1.4 |
-15.590743 |
-15.571722 |
0.58031 |
1043 |
1.5 |
-15.576051 |
-15.553300 |
0.33047 |
1041 |
1.6 |
-15.554624 |
-15.527415 |
0.26588 |
1053 |
1.7 |
-15.529121 |
-15.496644 |
0.24302 |
1035 |
1.8 |
-15.501545 |
-15.462839 |
0.23797 |
1036 |
1.9 |
-15.473451 |
-15.427537 |
0.24227 |
1028 |
2.0 |
-15.446094 |
-15.391443 |
0.25641 |
1046 |
H2O
Score for molecule: 0.459211

Bond length [A] |
Exact GS energy [Ha] |
Predicted GS energy [Ha] |
Score for each bond length |
# of function evaluation |
0.5 |
-73.137644 |
-73.133693 |
0.013786 |
815 |
0.6 |
-74.146204 |
-74.139518 |
0.026557 |
793 |
0.7 |
-74.643693 |
-74.633420 |
0.052077 |
800 |
0.8 |
-74.883002 |
-74.868092 |
0.10886 |
769 |
0.9 |
-74.987693 |
-74.966897 |
0.27518 |
767 |
1.0 |
-75.019855 |
-74.991838 |
1.9557 |
781 |
1.1 |
-75.012625 |
-74.976071 |
0.80991 |
768 |
1.2 |
-74.985126 |
-74.938726 |
0.46184 |
758 |
1.3 |
-74.948779 |
-74.891115 |
0.38519 |
773 |
1.4 |
-74.910271 |
-74.839771 |
0.36713 |
750 |
1.5 |
-74.873436 |
-74.788486 |
0.37342 |
749 |
1.6 |
-74.840495 |
-74.738747 |
0.39836 |
763 |
1.7 |
-74.812706 |
-74.691759 |
0.43741 |
748 |
1.8 |
-74.790571 |
-74.647312 |
0.49227 |
771 |
1.9 |
-74.773909 |
-74.603892 |
0.56742 |
762 |
2.0 |
-74.761988 |
-74.571011 |
0.62227 |
734 |