(1s 1 3s 1 ) 3 S Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 3s | 5.361602 | 2.64228005 |
| 2 | 4s | 8.635409 | -.10880210 |
| 3 | 5s | 15.202880 | -.00911310 |
| 4 | 4s | 51.888726 | -.00003483 |
| 5 | 5s | 3.475698 | -.00023145 |
| 6 | 1s | 9.976861 | .40228014 |
| 7 | 2s | 5.472349 | -2.20212276 |
| ORB.ENERGY,a.u. | -15.104000 | ||
| NORM | 1.000000 | < R > | .828503 | < R2 > | .779425 | < 1/R > | 1.793738 | < 1/R**2 > | 19.150750 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.771774 | .88935959 |
| 2 | 1s | 19.426291 | .10527885 |
| 3 | 2s | 17.569370 | .01062935 |
| 4 | 3s | 17.817519 | -.00512737 |
| 5 | 4s | 46.558308 | .00001810 |
| 6 | 5s | 22.086630 | .00034508 |
| ORB.ENERGY,a.u. | -143.550000 |
| NORM | 1.000000 | < R > | .088232 | < R2 > | .010380 | < 1/R > | 17.001420 | < 1/R**2 > | 578.099157 |
Total Energy= -158.94977232 a.u.
Kinetic Energy= 158.99427697 a.u.
Potential Energy= -317.94404929 a.u.
Virial Ratio = -1.99972009