Key to notation
75      Re      [Xe] 4f^14 5d^5 6s^2

LDA LSD RLDA ScRLDA Etot = -15780.236024 -15780.360135 -16675.634410 -16650.577607 Ekin = 15774.543959 15774.689191 18790.421644 18337.336418 Ecoul = 6337.535878 6338.503935 6524.706419 6503.419447 Eenuc = -37586.722924 -37587.811500 -41700.558486 -41202.161483 Exc = -305.592936 -305.741761 -290.203987 -289.171990 1s -2407.665572 -2407.651047 -2611.526957 -2615.689247 -2407.650789 2s -397.087707 -397.077881 -453.033221 -454.034449 -397.068254 2p -380.982869 -380.972058 -433.826740 -396.870146 -380.964349 -381.594940 3s -91.149193 -91.137179 -104.920058 -105.159090 -91.132614 3p -83.634578 -83.622550 -96.287771 -88.264454 -83.617973 -84.933989 3d -69.576760 -69.565707 -70.360195 -69.032405 -69.559044 -67.881601 4s -18.454325 -18.445046 -21.863441 -21.914597 -18.436079 4p -15.295495 -15.286513 -18.252810 -16.359352 -15.276965 -15.594105 4d -9.516816 -9.508827 -9.642318 -9.367961 -9.497294 -9.148599 4f -1.925080 -1.920556 -1.623025 -1.575737 -1.902036 -1.530594 5s -2.567348 -2.596129 -3.119929 -3.127489 -2.509082 5p -1.631227 -1.664362 -2.022011 -1.730506 -1.568199 -1.618117 5d -0.258639 -0.295729 -0.226049 -0.205868 -0.195596 -0.193387 6s -0.186859 -0.204682 -0.225224 -0.225105 -0.160962 75 Re+ [Xe] 4f^14 5d^5 6s^1
LDA LSD RLDA ScRLDA Etot = -15779.936901 -15780.100114 -16675.286178 -16650.229516 Ekin = 15774.262988 15774.457778 18789.963774 18336.941160 Ecoul = 6317.367436 6318.561854 6503.309310 6482.001108 Eenuc = -37566.163035 -37567.525875 -41678.561554 -41180.206025 Exc = -305.404290 -305.593870 -289.997708 -288.965758 1s -2407.937841 -2407.920306 -2611.817040 -2615.979155 -2407.919597 2s -397.358629 -397.346210 -453.320622 -454.322049 -397.336087 2p -381.253867 -381.240416 -434.114336 -397.157800 -381.232259 -381.882354 3s -91.420361 -91.405580 -105.207650 -105.446970 -91.400620 3p -83.905745 -83.890952 -96.575354 -88.552329 -83.885980 -85.221576 3d -69.847814 -69.834056 -70.647596 -69.320107 -69.826964 -68.169015 4s -18.725559 -18.713680 -22.151128 -22.202594 -18.703972 4p -15.566716 -15.555157 -18.540483 -16.647328 -15.544827 -15.881763 4d -9.787986 -9.777486 -9.929898 -9.655848 -9.765065 -9.436170 4f -2.196219 -2.189321 -1.910567 -1.863596 -2.169590 -1.818136 5s -2.838745 -2.866007 -3.407616 -3.415501 -2.774893 5p -1.902751 -1.934495 -2.310034 -2.019037 -1.833043 -1.906368 5d -0.524397 -0.562461 -0.507034 -0.486217 -0.445628 -0.472731 6s -0.415789 -0.441235 -0.475854 -0.475956 -0.357791
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