The following tables contain the equation of state from PIMC
simulations of hydrogen and deuterium using different time steps and
nodal surfaces. It should be noted that all simulations have been
performed using order
in the action expansion for the
off-diagonal pair density matrix (Eq. 2.38) and order
in the energy expansion. As discussed in section
, there are
corrections to pressure and energy due to higher orders. They are
particularly substantial for the pressure at low temperatures. In the
following table, we list the raw simulation data without the corrections.
|
|
||
| 166 |
2.641 |
41.091 |
| 125 |
1.956 |
29.979 |
| 62 |
0.902 |
11.827 |
| 31 |
0.343 |
-2.880 |
| 15 |
0.143 |
-11.298 |
| 12 |
0.117 |
-11.903 |
| 10 |
0.094 |
-12.429 |
| 8929 | 0.085 |
-12.652 |
| 7812 | 0.076 |
-12.971 |
| 6944 | 0.063 |
-13.476 |
| 6250 | 0.059 |
-14.189 |
| 5000 | 0.053 |
-14.708 |
|
|
||
| 166 |
7.166 |
39.979 |
| 125 |
5.264 |
28.594 |
| 62 |
2.342 |
9.466 |
| 31 |
0.879 |
-4.885 |
| 15 |
0.397 |
-11.382 |
| 12 |
0.323 |
-11.945 |
| 10 |
0.270 |
-12.491 |
| 8929 | 0.234 |
-12.903 |
| 7812 | 0.203 |
-13.543 |
| 6944 | 0.191 |
-13.715 |
| 6250 | 0.168 |
-14.282 |
| 5000 | 0.151 |
-14.759 |
|
|
||
| 166 |
13.770 |
38.683 |
| 125 |
10.060 |
27.120 |
| 625 |
4.337 |
7.412 |
| 31 |
1.639 |
-5.848 |
| 15 |
0.723 |
-11.593 |
| 12 |
0.630 |
-12.062 |
| 10 |
0.480 |
-12.865 |
| 8929 | 0.432 |
-13.223 |
| 7812 | 0.371 |
-13.881 |
| 6944 | 0.344 |
-14.081 |
| 6250 | 0.308 |
-14.559 |
| 5000 | 0.297 |
-14.797 |
|
|
||
| 166 |
31.912 |
36.602 |
| 125 |
23.036 |
24.734 |
| 62 |
9.586 |
4.727 |
| 31 |
3.716 |
-6.923 |
| 15 |
1.672 |
-11.783 |
| 12 |
1.380 |
-12.461 |
| 10 |
1.096 |
-13.171 |
| 8929 | 0.992 |
-13.472 |
| 7812 | 0.884 |
-13.843 |
| 6944 | 0.808 |
-14.269 |
| 6250 | 0.769 |
-14.368 |
| 5000 | 0.676 |
-14.938 |
|
|
||
| 166 |
102.747 |
32.261 |
| 125 |
73.082 |
20.229 |
| 62 |
29.462 |
1.051 |
| 31 |
11.863 |
-8.144 |
| 25 |
9.075 |
-9.809 |
| 20 |
7.320 |
-10.985 |
| 15 |
5.530 |
-12.057 |
| 12 |
4.325 |
-12.982 |
| 10 |
3.700 |
-13.543 |
| 8929 | 3.353 |
-13.909 |
| 7812 | 3.065 |
-14.222 |
| 6944 | 2.893 |
-14.382 |
| 6250 | 2.622 |
-14.605 |
| 5000 | 2.307 |
-14.943 |
|
|
|||
| 166 |
234.381 |
28.422 |
0.00031 |
| 125 |
164.852 |
16.489 |
0.00065 |
| 62 |
67.526 |
-1.166 |
0.006 |
| 31 |
27.763 |
-8.961 |
0.033 |
| 25 |
21.410 |
-10.282 |
0.039 |
| 20 |
17.428 |
-11.297 |
0.046 |
| 15 |
13.602 |
-12.260 |
0.047 |
| 12 |
11.462 |
-13.087 |
0.036 |
| 10 |
10.600 |
-13.593 |
0.036 |
| 8929 | 10.257 |
-13.866 |
0.022 |
| 7812 | 9.433 |
-14.220 |
0.024 |
| 6944 | 9.055 |
-14.438 |
0.016 |
| 6250 | 8.498 |
-14.593 |
0.025 |
| 5000 | 7.996 |
-14.835 |
0.017 |
|
|
|||
| 125 |
248.561 |
14.675 |
0.003 |
| 62 |
103.121 |
-2.143 |
0.017 |
| 50 |
77.568 |
-5.167 |
0.030 |
| 31 |
44.905 |
-9.160 |
0.076 |
| 25 |
35.512 |
-10.384 |
0.105 |
| 20 |
29.997 |
-11.228 |
0.129 |
| 15 |
24.503 |
-12.211 |
0.136 |
| 12 |
21.402 |
-12.823 |
0.134 |
| 10 |
20.200 |
-13.547 |
0.092 |
| 8929 | 19.038 |
-13.822 |
0.073 |
| 7812 | 18.311 |
-14.167 |
0.063 |
| 6944 | 17.574 |
-14.374 |
0.065 |
| 6250 | 17.029 |
-14.529 |
0.060 |
| 5000 | 15.817 |
-14.736 |
0.057 |
|
|
|||
| 125 |
308 |
13.2 |
0.002 |
| 62 |
134 |
-2.5 |
0.020 |
| 31 |
60 |
-9.4 |
0.102 |
| 15 |
34 |
-12.1 |
0.204 |
| 10 |
17 |
-14.0 |
0.225 |
|
|
|||
| 125 |
411 |
13.3 |
0.004 |
| 62 |
183 |
-2.5 |
0.032 |
| 31 |
84 |
-9.4 |
0.172 |
| 15 |
50 |
-12.0 |
0.302 |
| 10 |
36 |
-13.5 |
0.320 |
|
|
|||
| 1 |
5433 |
245.7 |
0.000 |
| 500 |
2624 |
113.2 |
0.000 |
| 250 |
1225 |
45.7 |
0.000 |
| 125 |
548 |
12.2 |
0.008 |
| 62 |
246 |
-3.1 |
0.081 |
| 31 |
125 |
-9.1 |
0.365 |
| 15 |
75 |
-11.7 |
0.701 |
| 10 |
63 |
-12.5 |
0.829 |
| 7812 | 51 |
-13.5 |
0.833 |
| 5000 | 68 |
-14.4 |
0.629 |
|
|
|||
| 125 |
540 |
11.7 |
0.008 |
| 62 |
236 |
-3.7 |
0.071 |
| 31 |
128 |
-9.2 |
0.271 |
| 15 |
59 |
-12.8 |
0.459 |
| 10 |
48 |
-13.6 |
0.534 |
| 7812 | 53 |
-13.7 |
0.557 |
| 5000 | 26 |
-15.3 |
0.666 |
|
|
|||
| 1 |
6752 |
245.3 |
0.000 |
| 500 |
3245 |
111.9 |
0.000 |
| 250 |
1506 |
44.3 |
0.000 |
| 125 |
688 |
11.7 |
0.013 |
| 62 |
307 |
-3.6 |
0.133 |
| 31 |
166 |
-9.1 |
0.488 |
| 15 |
107 |
-11.5 |
0.804 |
| 10 |
85 |
-12.4 |
0.896 |
| 7812 | 69 |
-13.0 |
0.919 |
| 5000 | 93 |
-14.4 |
0.864 |
|
|
|||
| 125 |
654 |
10.3 |
0.017 |
| 62 |
322 |
-3.1 |
0.122 |
| 31 |
169 |
-9.3 |
0.351 |
| 15 |
102 |
-12.2 |
0.562 |
| 10 |
97 |
-12.5 |
0.674 |
| 7812 | 69 |
-13.8 |
0.689 |
| 5000 | 49 |
-14.7 |
0.777 |
|
|
|||
| 125 |
815 |
10.6 |
0.023 |
| 62 |
377 |
-4.0 |
0.177 |
| 31 |
199 |
-9.9 |
0.435 |
| 15 |
162 |
-11.3 |
0.675 |
| 10 |
138 |
-12.3 |
0.755 |
|
|
|||
| 250 |
2865 |
41.2 |
0.006 |
| 125 |
1328 |
9.5 |
0.070 |
| 62 |
676 |
-3.9 |
0.340 |
| 31 |
409 |
-9.3 |
0.650 |
| 15 |
403 |
-9.9 |
0.821 |
|
|
|||
| 250 |
5043 |
39.5 |
0.024 |
| 125 |
2477 |
9.2 |
0.222 |
| 62 |
1509 |
-2.1 |
0.568 |
| 31 |
1068 |
-7.3 |
0.813 |
| 15 |
960 |
-8.9 |
0.911 |
|
|
|||
| 500 |
20814 |
101.5 |
0.009 |
| 250 |
10545 |
39.8 |
0.122 |
| 125 |
6343 |
14.6 |
0.485 |
| 62 |
4877 |
5.9 |
0.785 |