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 ![]() |