Table 2. Polarization Energies of Water Systems, Using a Peek-Step.
| water box | S1 | S2 | S3 |
|---|---|---|---|
| ref | –81.03 | –803.33 | –15229.87 |
| TCG1(ω = 1) | –81.41 | –806.83 | –15315.13 |
| TCG2(ω = 1) | –80.23 | –794.49 | –15061.22 |
| TCG3(ω = 1) | –80.78 | –800.83 | –15181.55 |
| TPCG1 (P = diag)(ω = 1) | –79.88 | –791.51 | –15001.40 |
| TPCG2 (P = diag)(ω = 1) | –80.98 | –802.74 | –15218.27 |
| TPCG3 (P = diag)(ω = 1) | –81.03 | –803.27 | –15228.74 |
| TPCG1 (P = diag)(ωopt) | –78.98 | –780.94 | –14789.04 |
| TPCG2 (P = diag)(ωopt) | –80.95 | –802.50 | –15213.17 |
| TPCG1 (P = diag)(ωfit) | –81.06 | –803.42 | –15230.10 |
| TPCG2 (P = diag)(ωfit) | –81.02 | –803.06 | –15231.14 |