(1s 2 2s 2 2p 2 5d 1 ) 2 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | 2.799332 | 1.53292539 |
| 2 | 4d | 2.401387 | -4.24784098 |
| 3 | 5d | 2.198468 | 3.37762381 |
| 4 | 3d | 6.372040 | .05122477 |
| 5 | 5d | 9.856886 | -.00922548 |
| 6 | 4d | 36.755982 | .00015178 |
| 7 | 5d | 1.556112 | -.00622854 |
| 8 | 5d | 49.672235 | -.00007128 |
| ORB.ENERGY,a.u. | -2.482400 | ||
| NORM | 1.000001 | < R > | 3.050626 | < R2 > | 10.566234 | < 1/R > | .457037 | < 1/R**2 > | .434510 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.772720 | 1.12655396 |
| 2 | 3p | 7.866321 | -.15078822 |
| 3 | 2p | 16.114258 | .02173201 |
| 4 | 4p | 18.631945 | .00682754 |
| 5 | 5p | 27.787364 | -.00088311 |
| 6 | 5p | 7.298626 | -.00218214 |
| 7 | 4p | 72.980502 | .00002873 |
| ORB.ENERGY,a.u. | -21.296000 | ||
| NORM | 1.000000 | < R > | .351552 | < R2 > | .149861 | < 1/R > | 3.602837 | < 1/R**2 > | 17.604167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.333259 | .43069855 |
| 2 | 2s | 7.485128 | -.86881498 |
| 3 | 3s | 7.640497 | -.28602255 |
| 4 | 4s | 28.818243 | .00202079 |
| 5 | 3s | 15.619309 | .01706174 |
| 6 | 5s | 7.683756 | -.02025118 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404040 | < R2 > | .191233 | < 1/R > | 3.634321 | < 1/R**2 > | 53.565195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144513 |
| 2 | 1s | 24.150551 | .07730259 |
| 3 | 2s | 15.030492 | .01928411 |
| 4 | 3s | 18.604366 | -.01560974 |
| 5 | 5s | 40.472553 | .00084972 |
| 6 | 4s | 97.240140 | -.00003113 |
| 7 | 5s | 12.597413 | .00032713 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625475 | < 1/R**2 > | 556.390464 |
Total Energy= -383.64289764 a.u.
Kinetic Energy= 383.64489355 a.u.
Potential Energy= -767.28779119 a.u.
Virial Ratio = -1.99999480