(1s 2 2s 2 2p 2 5s 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 9.100438 | .05582462 |
| 2 | 2s | 2.928885 | -.34519339 |
| 3 | 3s | 1.504867 | 2.08700803 |
| 4 | 4s | 1.270946 | -4.24889685 |
| 5 | 5s | 1.102585 | 3.03851017 |
| 6 | 5s | 11.176515 | -.00516994 |
| 7 | 4s | 32.429349 | .00018273 |
| 8 | 5s | 47.122981 | -.00007846 |
| ORB.ENERGY,a.u. | -.606580 | ||
| NORM | .999999 | < R > | 6.202422 | < R2 > | 43.046906 | < 1/R > | .227421 | < 1/R**2 > | .477549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.885055 | 1.20755108 |
| 2 | 3p | 4.772636 | -.23151817 |
| 3 | 2p | 10.574946 | .02157813 |
| 4 | 4p | 11.379689 | .00556860 |
| 5 | 5p | 23.204045 | -.00035991 |
| 6 | 5p | 3.342882 | .00263774 |
| ORB.ENERGY,a.u. | -6.093600 | ||
| NORM | 1.000000 | < R > | .612722 | < R2 > | .458902 | < 1/R > | 2.087912 | < 1/R**2 > | 5.987735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.922084 | .36901315 |
| 2 | 2s | 4.504960 | -.82206257 |
| 3 | 3s | 4.431190 | -.28661632 |
| 4 | 4s | 18.284428 | .00268021 |
| 5 | 3s | 10.279436 | .02326593 |
| 6 | 5s | 4.599340 | -.03982727 |
| 7 | 4s | 1.269903 | -.03609809 |
| 8 | 3s | .922777 | .03624188 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .678969 | < R2 > | .543223 | < 1/R > | 2.137918 | < 1/R**2 > | 18.600226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126099 | .89421873 |
| 2 | 1s | 15.400830 | .10616553 |
| 3 | 2s | 9.626481 | .01801427 |
| 4 | 3s | 11.739628 | -.01491893 |
| 5 | 5s | 26.541340 | .00131259 |
| 6 | 4s | 66.388200 | -.00003554 |
| 7 | 5s | 8.719596 | .00106086 |
| 8 | 3s | .870365 | -.00272667 |
| 9 | 4s | 1.206456 | .00266687 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142190 | < R2 > | .027164 | < 1/R > | 10.637548 | < 1/R**2 > | 228.517365 |
Total Energy= -149.38131964 a.u.
Kinetic Energy= 149.37674374 a.u.
Potential Energy= -298.75806338 a.u.
Virial Ratio = -2.00003063