(1s 2 2s 2 2p 2 3s 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 1s | 9.243758 | .12685064 |
| 2 | 2s | 3.052281 | -.66879980 |
| 3 | 3s | 2.032180 | 1.31086003 |
| 4 | 4s | 8.081797 | -.02219177 |
| 5 | 5s | 13.230354 | -.00374476 |
| 6 | 4s | 41.531559 | -.00002054 |
| ORB.ENERGY,a.u. | -1.961300 | ||
| NORM | 1.000000 | < R > | 1.958111 | < R2 > | 4.305707 | < 1/R > | .682604 | < 1/R**2 > | 2.581707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.852496 | 1.18033183 |
| 2 | 3p | 4.705289 | -.21152291 |
| 3 | 2p | 9.972319 | .02916814 |
| 4 | 4p | 10.856358 | .00836680 |
| 5 | 5p | 23.648584 | -.00031636 |
| 6 | 5p | 3.107247 | .00460113 |
| 7 | 4p | 2.425688 | -.00286152 |
| ORB.ENERGY,a.u. | -5.658900 | ||
| NORM | 1.000000 | < R > | .615200 | < R2 > | .462712 | < 1/R > | 2.080447 | < 1/R**2 > | 5.949061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.901579 | .37205251 |
| 2 | 2s | 4.508977 | -.83061879 |
| 3 | 3s | 4.415346 | -.29108774 |
| 4 | 4s | 18.897923 | .00267151 |
| 5 | 3s | 9.776367 | .02436927 |
| 6 | 5s | 4.521182 | -.03921952 |
| 7 | 4s | 18.652402 | .00201314 |
| 8 | 3s | 1.963404 | .01814518 |
| 9 | 5s | 26.024523 | -.00074968 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .674286 | < R2 > | .533243 | < 1/R > | 2.149095 | < 1/R**2 > | 18.768215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.143397 | .88698351 |
| 2 | 1s | 15.005192 | .11305377 |
| 3 | 2s | 7.741269 | .01866889 |
| 4 | 3s | 10.263030 | -.01401046 |
| 5 | 5s | 26.760203 | .00124321 |
| 6 | 5s | 2.706678 | -.00095860 |
| 7 | 3s | 45.134771 | -.00007851 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142225 | < R2 > | .027177 | < 1/R > | 10.635927 | < 1/R**2 > | 228.462435 |
Total Energy= -150.75919233 a.u.
Kinetic Energy= 150.72970981 a.u.
Potential Energy= -301.48890214 a.u.
Virial Ratio = -2.00019560