(1s 1 4s 1 ) 3 S Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 9.644363 | .27408097 |
| 2 | 2s | 5.350139 | -1.58126768 |
| 3 | 3s | 3.767584 | 6.10961497 |
| 4 | 4s | 3.964663 | -5.78243319 |
| 5 | 5s | 5.757406 | .28869407 |
| 6 | 4s | 9.973322 | -.05540878 |
| 7 | 5s | 64.230865 | -.00004554 |
| ORB.ENERGY,a.u. | -8.692500 | ||
| NORM | 1.000000 | < R > | 1.479641 | < R2 > | 2.462748 | < 1/R > | 1.006690 | < 1/R**2 > | 8.031816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.770751 | .88942063 |
| 2 | 1s | 19.407097 | .10539399 |
| 3 | 2s | 17.313866 | .01066674 |
| 4 | 3s | 17.626302 | -.00525825 |
| 5 | 4s | 31.298786 | -.00002544 |
| 6 | 5s | 21.272935 | .00020445 |
| ORB.ENERGY,a.u. | -144.160000 |
| NORM | 1.000000 | < R > | .088234 | < R2 > | .010381 | < 1/R > | 17.000511 | < 1/R**2 > | 578.037114 |
Total Energy= -152.59442722 a.u.
Kinetic Energy= 152.61243180 a.u.
Potential Energy= -305.20685902 a.u.
Virial Ratio = -1.99988202