(1s 2 2s 1 5d 1 ) 1 D Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.797383 | 3.51703813 |
| 2 | 4d | 2.802141 | -8.81385974 |
| 3 | 5d | 2.803745 | 5.97090912 |
| 4 | 3d | 11.186727 | .00544765 |
| 5 | 5d | 2.733597 | .01162619 |
| 6 | 5d | 31.733973 | -.00017761 |
| 7 | 4d | 6.444729 | .00783544 |
| 8 | 4d | 55.489648 | -.00001450 |
| ORB.ENERGY,a.u. | -3.929200 | ||
| NORM | 1.000000 | < R > | 2.457157 | < R2 > | 6.853387 | < 1/R > | .564162 | < 1/R**2 > | .643629 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.821863 | .43601650 |
| 2 | 2s | 7.435542 | -.81684133 |
| 3 | 3s | 8.897476 | -.30453933 |
| 4 | 5s | 15.259659 | -.01971118 |
| 5 | 4s | 30.040528 | .00504784 |
| 6 | 5s | 39.837167 | -.00120206 |
| 7 | 4s | 101.272957 | .00001673 |
| ORB.ENERGY,a.u. | -29.160000 | ||
| NORM | 1.000000 | < R > | .381509 | < R2 > | .169762 | < 1/R > | 3.874854 | < 1/R**2 > | 60.475607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395784 | .93944249 |
| 2 | 1s | 25.899068 | .04781409 |
| 3 | 2s | 20.354428 | .01681895 |
| 4 | 3s | 12.275209 | .00140285 |
| 5 | 4s | 67.960041 | -.00041996 |
| 6 | 5s | 90.615652 | .00015385 |
| 7 | 5s | 8.709276 | .00010691 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090334 | < R2 > | .010917 | < 1/R > | 16.674459 | < 1/R**2 > | 559.001931 |
Total Energy= -312.10629527 a.u.
Kinetic Energy= 312.02172992 a.u.
Potential Energy= -624.12802520 a.u.
Virial Ratio = -2.00027102