(1s 2 2s 2 2p 1 4d 1 ) 1 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.665867 | 1.47810515 |
| 2 | 4d | 1.480514 | -2.01249910 |
| 3 | 3d | 4.121497 | .01529410 |
| 4 | 5d | 1.425026 | .04217366 |
| 5 | 4d | 12.131179 | .00186504 |
| 6 | 5d | 9.196829 | .00505282 |
| 7 | 3d | 16.227968 | .00025331 |
| ORB.ENERGY,a.u. | -1.131900 | ||
| NORM | 1.000001 | < R > | 3.459458 | < R2 > | 13.722892 | < 1/R > | .384316 | < 1/R**2 > | .243015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.165845 | 1.09230892 |
| 2 | 3p | 5.287737 | -.12684556 |
| 3 | 2p | 8.833221 | .03421667 |
| 4 | 5p | 9.491004 | .00781442 |
| 5 | 4p | 17.818606 | -.00264890 |
| 6 | 5p | 3.693830 | .00415790 |
| 7 | 3p | 21.633364 | -.00057736 |
| ORB.ENERGY,a.u. | -7.222400 | ||
| NORM | 1.000000 | < R > | .583049 | < R2 > | .413240 | < 1/R > | 2.179439 | < 1/R**2 > | 6.472442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.722439 | .33543104 |
| 2 | 2s | 3.805444 | -.79511236 |
| 3 | 3s | 5.843259 | -.27426782 |
| 4 | 4s | 20.877934 | .00164572 |
| 5 | 5s | 11.426525 | -.01555117 |
| 6 | 5s | 4.282859 | .02180950 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657971 | < R2 > | .507785 | < 1/R > | 2.209601 | < 1/R**2 > | 19.783079 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213747 | .92141689 |
| 2 | 1s | 15.999015 | .08125725 |
| 3 | 2s | 8.835457 | .01660594 |
| 4 | 3s | 11.376624 | -.01613950 |
| 5 | 4s | 53.497555 | -.00008413 |
| 6 | 5s | 25.512999 | .00100170 |
| 7 | 4s | 5.211955 | .00008124 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141853 | < R2 > | .027000 | < 1/R > | 10.653397 | < 1/R**2 > | 229.042556 |
Total Energy= -143.60918426 a.u.
Kinetic Energy= 143.57812626 a.u.
Potential Energy= -287.18731053 a.u.
Virial Ratio = -2.00021631