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.
166667 | 2.641 0.001 | 41.091 0.018 |
125000 | 1.956 0.001 | 29.979 0.026 |
62500 | 0.902 0.002 | 11.827 0.042 |
31250 | 0.343 0.001 | -2.880 0.046 |
15625 | 0.143 0.001 | -11.298 0.064 |
12500 | 0.117 0.001 | -11.903 0.032 |
10000 | 0.094 0.001 | -12.429 0.027 |
8929 | 0.085 0.001 | -12.652 0.032 |
7812 | 0.076 0.002 | -12.971 0.084 |
6944 | 0.063 0.001 | -13.476 0.053 |
6250 | 0.059 0.001 | -14.189 0.037 |
5000 | 0.053 0.001 | -14.708 0.026 |
166667 | 7.166 0.004 | 39.979 0.024 |
125000 | 5.264 0.004 | 28.594 0.027 |
62500 | 2.342 0.005 | 9.466 0.053 |
31250 | 0.879 0.006 | -4.885 0.068 |
15625 | 0.397 0.006 | -11.382 0.043 |
12500 | 0.323 0.005 | -11.945 0.046 |
10000 | 0.270 0.003 | -12.491 0.039 |
8929 | 0.234 0.004 | -12.903 0.033 |
7812 | 0.203 0.004 | -13.543 0.028 |
6944 | 0.191 0.004 | -13.715 0.035 |
6250 | 0.168 0.004 | -14.282 0.073 |
5000 | 0.151 0.004 | -14.759 0.018 |
166667 | 13.770 0.010 | 38.683 0.036 |
125000 | 10.060 0.010 | 27.120 0.037 |
62500 | 4.337 0.006 | 7.412 0.034 |
31250 | 1.639 0.009 | -5.848 0.041 |
15625 | 0.723 0.012 | -11.593 0.037 |
12500 | 0.630 0.008 | -12.062 0.037 |
10000 | 0.480 0.006 | -12.865 0.028 |
8929 | 0.432 0.005 | -13.223 0.025 |
7812 | 0.371 0.007 | -13.881 0.044 |
6944 | 0.344 0.006 | -14.081 0.050 |
6250 | 0.308 0.004 | -14.559 0.019 |
5000 | 0.297 0.006 | -14.797 0.019 |
166667 | 31.912 0.021 | 36.602 0.028 |
125000 | 23.036 0.018 | 24.734 0.032 |
62500 | 9.586 0.020 | 4.727 0.034 |
31250 | 3.716 0.012 | -6.923 0.027 |
15625 | 1.672 0.026 | -11.783 0.048 |
12500 | 1.380 0.025 | -12.461 0.059 |
10000 | 1.096 0.012 | -13.171 0.037 |
8929 | 0.992 0.011 | -13.472 0.038 |
7812 | 0.884 0.011 | -13.843 0.030 |
6944 | 0.808 0.014 | -14.269 0.029 |
6250 | 0.769 0.013 | -14.368 0.022 |
5000 | 0.676 0.016 | -14.938 0.019 |
166667 | 102.747 0.131 | 32.261 0.050 |
125000 | 73.082 0.111 | 20.229 0.046 |
62500 | 29.462 0.131 | 1.051 0.050 |
31250 | 11.863 0.066 | -8.144 0.017 |
25000 | 9.075 0.131 | -9.809 0.051 |
20000 | 7.320 0.141 | -10.985 0.053 |
15625 | 5.530 0.111 | -12.057 0.053 |
12500 | 4.325 0.162 | -12.982 0.059 |
10000 | 3.700 0.049 | -13.543 0.034 |
8929 | 3.353 0.069 | -13.909 0.035 |
7812 | 3.065 0.086 | -14.222 0.033 |
6944 | 2.893 0.064 | -14.382 0.036 |
6250 | 2.622 0.075 | -14.605 0.035 |
5000 | 2.307 0.100 | -14.943 0.028 |
166667 | 234.381 0.242 | 28.422 0.042 | 0.00031 0.00003 |
125000 | 164.852 0.212 | 16.489 0.027 | 0.00065 0.00004 |
62500 | 67.526 0.303 | -1.166 0.044 | 0.006 0.001 |
31250 | 27.763 0.192 | -8.961 0.030 | 0.033 0.006 |
25000 | 21.410 0.242 | -10.282 0.037 | 0.039 0.002 |
20000 | 17.428 0.293 | -11.297 0.049 | 0.046 0.004 |
15625 | 13.602 0.343 | -12.260 0.050 | 0.047 0.005 |
12500 | 11.462 0.454 | -13.087 0.079 | 0.036 0.004 |
10000 | 10.600 0.172 | -13.593 0.028 | 0.036 0.003 |
8929 | 10.257 0.151 | -13.866 0.027 | 0.022 0.001 |
7812 | 9.433 0.131 | -14.220 0.032 | 0.024 0.002 |
6944 | 9.055 0.141 | -14.438 0.028 | 0.016 0.001 |
6250 | 8.498 0.212 | -14.593 0.040 | 0.025 0.005 |
5000 | 7.996 0.212 | -14.835 0.018 | 0.017 0.002 |
125000 | 248.561 0.161 | 14.675 0.020 | 0.003 0.001 |
62500 | 103.121 0.344 | -2.143 0.038 | 0.017 0.001 |
50000 | 77.568 0.217 | -5.167 0.025 | 0.030 0.001 |
31250 | 44.905 0.235 | -9.160 0.022 | 0.076 0.002 |
25000 | 35.512 0.366 | -10.384 0.029 | 0.105 0.003 |
20000 | 29.997 0.228 | -11.228 0.024 | 0.129 0.003 |
15625 | 24.503 0.325 | -12.211 0.023 | 0.136 0.006 |
12500 | 21.402 0.399 | -12.823 0.030 | 0.134 0.008 |
10000 | 20.200 0.309 | -13.547 0.024 | 0.092 0.005 |
8929 | 19.038 0.402 | -13.822 0.051 | 0.073 0.007 |
7812 | 18.311 0.455 | -14.167 0.045 | 0.063 0.002 |
6944 | 17.574 0.540 | -14.374 0.055 | 0.065 0.004 |
6250 | 17.029 0.413 | -14.529 0.042 | 0.060 0.004 |
5000 | 15.817 0.445 | -14.736 0.043 | 0.057 0.003 |
125000 | 308 5 | 13.2 0.4 | 0.002 0.000 |
62500 | 134 1 | -2.5 0.1 | 0.020 0.002 |
31250 | 60 3 | -9.4 0.2 | 0.102 0.004 |
15625 | 34 4 | -12.1 0.3 | 0.204 0.008 |
10000 | 17 5 | -14.0 0.4 | 0.225 0.014 |
125000 | 411 2 | 13.3 0.1 | 0.004 0.000 |
62500 | 183 5 | -2.5 0.3 | 0.032 0.001 |
31250 | 84 3 | -9.4 0.2 | 0.172 0.005 |
15625 | 50 5 | -12.0 0.3 | 0.302 0.005 |
10000 | 36 5 | -13.5 0.3 | 0.320 0.010 |
1000000 | 5433 5 | 245.7 0.3 | 0.000 0.000 |
500000 | 2624 4 | 113.2 0.2 | 0.000 0.000 |
250000 | 1225 3 | 45.7 0.1 | 0.000 0.000 |
125000 | 548 2 | 12.2 0.1 | 0.008 0.000 |
62500 | 246 2 | -3.1 0.1 | 0.081 0.001 |
31250 | 125 2 | -9.1 0.1 | 0.365 0.003 |
15625 | 75 3 | -11.7 0.1 | 0.701 0.003 |
10000 | 63 5 | -12.5 0.2 | 0.829 0.004 |
7812 | 51 4 | -13.5 0.2 | 0.833 0.010 |
5000 | 68 9 | -14.4 0.4 | 0.629 0.007 |
125000 | 540 14 | 11.7 0.6 | 0.008 0.001 |
62500 | 236 7 | -3.7 0.3 | 0.071 0.005 |
31250 | 128 5 | -9.2 0.2 | 0.271 0.006 |
15625 | 59 9 | -12.8 0.4 | 0.459 0.009 |
10000 | 48 10 | -13.6 0.5 | 0.534 0.010 |
7812 | 53 12 | -13.7 0.5 | 0.557 0.011 |
5000 | 26 25 | -15.3 1.2 | 0.666 0.016 |
1000000 | 6752 8 | 245.3 0.3 | 0.000 0.000 |
500000 | 3245 5 | 111.9 0.2 | 0.000 0.000 |
250000 | 1506 3 | 44.3 0.1 | 0.000 0.000 |
125000 | 688 3 | 11.7 0.1 | 0.013 0.000 |
62500 | 307 1 | -3.6 0.0 | 0.133 0.001 |
31250 | 166 3 | -9.1 0.1 | 0.488 0.002 |
15625 | 107 7 | -11.5 0.3 | 0.804 0.002 |
10000 | 85 5 | -12.4 0.2 | 0.896 0.001 |
7812 | 69 7 | -13.0 0.3 | 0.919 0.001 |
5000 | 93 12 | -14.4 0.5 | 0.864 0.005 |
125000 | 654 16 | 10.3 0.6 | 0.017 0.002 |
62500 | 322 5 | -3.1 0.2 | 0.122 0.004 |
31250 | 169 6 | -9.3 0.2 | 0.351 0.005 |
15625 | 102 10 | -12.2 0.4 | 0.562 0.010 |
10000 | 97 13 | -12.5 0.5 | 0.674 0.009 |
7812 | 69 27 | -13.8 1.0 | 0.689 0.015 |
5000 | 49 25 | -14.7 1.0 | 0.777 0.009 |
125000 | 815 6 | 10.6 0.2 | 0.023 0.001 |
62500 | 377 9 | -4.0 0.3 | 0.177 0.007 |
31250 | 199 15 | -9.9 0.4 | 0.435 0.009 |
15625 | 162 16 | -11.3 0.5 | 0.675 0.017 |
10000 | 138 37 | -12.3 1.1 | 0.755 0.015 |
250000 | 2865 12 | 41.2 0.2 | 0.006 0.000 |
125000 | 1328 24 | 9.5 0.5 | 0.070 0.003 |
62500 | 676 26 | -3.9 0.5 | 0.340 0.005 |
31250 | 409 58 | -9.3 1.1 | 0.650 0.011 |
15625 | 403 104 | -9.9 2.0 | 0.821 0.013 |
250000 | 5043 37 | 39.5 0.4 | 0.024 0.001 |
125000 | 2477 30 | 9.2 0.3 | 0.222 0.005 |
62500 | 1509 88 | -2.1 1.0 | 0.568 0.008 |
31250 | 1068 93 | -7.3 1.1 | 0.813 0.008 |
15625 | 960 174 | -8.9 2.0 | 0.911 0.002 |
500000 | 20814 143 | 101.5 0.8 | 0.009 0.000 |
250000 | 10545 153 | 39.8 0.9 | 0.122 0.003 |
125000 | 6343 221 | 14.6 1.3 | 0.485 0.007 |
62500 | 4877 404 | 5.9 2.3 | 0.785 0.003 |