(1s 1 5d 1 ) 1 D Cl 15+
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 | 3.200312 | 3.54928780 |
| 2 | 4d | 3.200200 | -8.84872203 |
| 3 | 5d | 3.199687 | 5.99474183 |
| 4 | 5d | 11.934628 | -.00021446 |
| 5 | 3d | 35.698604 | .00000860 |
| 6 | 4d | 19.800681 | -.00012814 |
| ORB.ENERGY,a.u. | -5.678800 | ||
| NORM | 1.000000 | < R > | 2.156557 | < R2 > | 5.274864 | < 1/R > | .639844 | < 1/R**2 > | .818552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.770137 | .88942036 |
| 2 | 1s | 19.408993 | .10538738 |
| 3 | 2s | 17.307307 | .01065178 |
| 4 | 3s | 17.674557 | -.00515600 |
| 5 | 4s | 11.581311 | -.00000172 |
| 6 | 5s | 23.331992 | .00005803 |
| ORB.ENERGY,a.u. | -144.400000 |
| NORM | 1.000000 | < R > | .088234 | < R2 > | .010380 | < 1/R > | 17.000119 | < 1/R**2 > | 578.006130 |
Total Energy= -149.62932358 a.u.
Kinetic Energy= 149.61949129 a.u.
Potential Energy= -299.24881487 a.u.
Virial Ratio = -2.00006572