(1s 1 4d 1 ) 1 D Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 4.091805 | 1.96146786 |
| 2 | 4d | 3.996720 | -2.47385002 |
| 3 | 3d | 6.414561 | -.00088130 |
| 4 | 4d | 18.968161 | -.00011493 |
| 5 | 5d | 78.487066 | .00000750 |
| ORB.ENERGY,a.u. | -8.560700 | ||
| NORM | .999999 | < R > | 1.312740 | < R2 > | 1.969422 | < 1/R > | .999709 | < 1/R**2 > | 1.598700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.770341 | .88941136 |
| 2 | 1s | 19.407097 | .10540057 |
| 3 | 2s | 17.302024 | .01065011 |
| 4 | 3s | 17.634019 | -.00516350 |
| 5 | 4s | 35.625537 | -.00000788 |
| 6 | 5s | 22.938098 | .00006241 |
| ORB.ENERGY,a.u. | -144.030000 |
| NORM | 1.000000 | < R > | .088233 | < R2 > | .010380 | < 1/R > | 17.000206 | < 1/R**2 > | 578.010595 |
Total Energy= -152.51579636 a.u.
Kinetic Energy= 152.49886711 a.u.
Potential Energy= -305.01466346 a.u.
Virial Ratio = -2.00011101