Properties | More Info | Isotopes | Spectra
Compounds | Reactions | Production
Atomic: M.A.C. | Reference
Diagrams: Shell | Atomic Radius | Electron || Images
Atomic Reference Data for Electronic Structure Calculations
Thulium; Tm  [Xe] 4f13 6s2
LDA LSD RLDA ScRLDA
Etot -12936.786494 -12936.793549 -13549.258539 -13534.832864
Ekin 12931.649735 12931.657274 14952.782514 14663.344745
Ecoul 5196.611124 5196.639086 5325.995668 5311.599603
Eenuc -30799.515253 -30799.549658 -33574.513283 -33257.081306
Exc -265.532099 -265.540251 -253.523438 -252.695905
1s -2022.471608 -2022.471100 -2161.695703 -2164.566898
-2022.471098
2s -327.057120 -327.057174 -364.972056 -365.644921
-327.055961
2p -312.510608 -312.510436 -348.208317 -323.356963
-312.509693 -312.615471
3s -72.873753 -72.883376 -82.043390 -82.196460
-72.862853
3p -66.239338 -66.248091 -74.605801 -69.355355
-66.229322 -67.084276
3d -53.835494 -53.841782 -54.309585 -53.423051
-53.827974 -52.656666
4s -13.865665 -13.881551 -16.131024 -16.161007
-13.848680
4p -11.187151 -11.202899 -13.131685 -11.929997
-11.170322 -11.425675
4d -6.350307 -6.365772 -6.467966 -6.292904
-6.333799 -6.156136
4f -0.283120 -0.296820 -1.954274 -0.126951
-0.268602
5s -1.649990 -1.655951 -1.141668 -1.958059
-1.643809 -0.931971
5p -0.950748 -0.955349 -0.151744 -0.991646
-0.946002 -0.107642
6s -0.135953 -0.136311 -0.147784 -0.147723
-0.135592
Thulium; Tm+  [Xe] 4f13 6s1
LDA LSD RLDA ScRLDA
Etot -12936.560508 -12936.575112 -13549.013746 -13534.588204
Ekin 12931.438594 12931.456466 14952.503484 14663.090044
Ecoul 5180.450824 5180.595005 5309.117998 5294.696188
Eenuc -30783.068255 -30783.227386 -33557.265752 -33239.832796
Exc -265.381672 -265.399197 -253.369476 -252.541641
1s -2022.709046 -2022.706921 -2161.944181 -2164.815544
-2022.706573
2s -327.293851 -327.292248 -365.219042 -365.892244
-327.290830
2p -312.747446 -312.745609 -348.455520 -323.604403
-312.744667 -312.862542
3s -73.109762 -73.117675 -82.288887 -82.442362
-73.097108
3p -66.475381 -66.482429 -74.851376 -69.601281
-66.463602 -67.329775
3d -54.071622 -54.076219 -54.555254 -53.669105
-54.062319 -52.902303
4s -14.102106 -14.116333 -16.377080 -16.407485
-14.083300
4p -11.423630 -11.437734 -13.377814 -12.176688
-11.404963 -11.672011
4d -6.586861 -6.600726 -6.714496 -6.539893
-6.568472 -6.402740
4f -0.519677 -0.532111 -0.398882 -0.374457
-0.502949 -0.354729
5s -1.887056 -1.892492 -2.204175 -2.208298
-1.878079
5p -1.186671 -1.191540 -1.391161 -1.241081
-1.178293 -1.180877
6s -0.319884 -0.331064 -0.346056 -0.346089
-0.301963