(1s 2 2s 1 2p 1 ) 1 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 4.174255 | .93004149 |
| 2 | 2p | 7.843945 | .06366829 |
| 3 | 2p | 14.129747 | .00790344 |
| 4 | 3p | 8.676376 | .04183807 |
| 5 | 4p | 5.025173 | -.02720752 |
| 6 | 5p | 43.088334 | .00004731 |
| 7 | 3p | 38.443920 | .00003852 |
| ORB.ENERGY,a.u. | -8.535700 | ||
| NORM | 1.000000 | < R > | .560995 | < R2 > | .382487 | < 1/R > | 2.263462 | < 1/R**2 > | 6.966909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.630645 | .35305399 |
| 2 | 2s | 3.965903 | -.79933140 |
| 3 | 3s | 5.877371 | -.28940172 |
| 4 | 4s | 18.046244 | .00930417 |
| 5 | 5s | 23.436583 | -.00250648 |
| 6 | 5s | 4.115568 | .01834882 |
| 7 | 3s | 40.950898 | .00007040 |
| 8 | 4s | 2.590392 | -.00421870 |
| 9 | 3s | 1.890407 | .00193625 |
| ORB.ENERGY,a.u. | -9.203900 | ||
| NORM | 1.000000 | < R > | .646015 | < R2 > | .488813 | < 1/R > | 2.270653 | < 1/R**2 > | 21.126392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.430329 | .94134549 |
| 2 | 1s | 16.691536 | .05183598 |
| 3 | 2s | 9.863134 | .01179651 |
| 4 | 3s | 4.819988 | .00348071 |
| 5 | 4s | 38.545477 | -.00042090 |
| 6 | 5s | 10.304295 | .00237000 |
| 7 | 3s | 52.912229 | -.00008025 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .142230 | < R2 > | .027209 | < 1/R > | 10.640063 | < 1/R**2 > | 228.650392 |
Total Energy= -134.19385934 a.u.
Kinetic Energy= 133.76506526 a.u.
Potential Energy= -267.95892461 a.u.
Virial Ratio = -2.00320558