(1s 2 2s 2 2p 2 4s 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 9.296266 | .07794077 |
| 2 | 2s | 2.006546 | -1.15483532 |
| 3 | 3s | 1.927069 | 2.54409966 |
| 4 | 4s | 1.412796 | -1.80361059 |
| 5 | 5s | 2.835699 | -.20668143 |
| 6 | 4s | 9.119563 | -.01470432 |
| 7 | 5s | 21.705800 | .00011982 |
| 8 | 5s | .922793 | .00184215 |
| ORB.ENERGY,a.u. | -.999960 | ||
| NORM | 1.000001 | < R > | 3.776064 | < R2 > | 15.999476 | < 1/R > | .366595 | < 1/R**2 > | .991885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.879769 | 1.20634760 |
| 2 | 3p | 4.766437 | -.23073264 |
| 3 | 2p | 10.517774 | .02216588 |
| 4 | 4p | 11.371148 | .00574017 |
| 5 | 5p | 23.286000 | -.00035919 |
| 6 | 5p | 3.207615 | .00254639 |
| 7 | 4p | .946329 | .00006882 |
| ORB.ENERGY,a.u. | -5.958700 | ||
| NORM | 1.000000 | < R > | .613319 | < R2 > | .459852 | < 1/R > | 2.086170 | < 1/R**2 > | 5.978758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.919215 | .36949823 |
| 2 | 2s | 4.506871 | -.82308441 |
| 3 | 3s | 4.426579 | -.28706983 |
| 4 | 4s | 18.252676 | .00266151 |
| 5 | 3s | 10.293270 | .02337977 |
| 6 | 5s | 4.620245 | -.03931548 |
| 7 | 4s | 1.326023 | -.03326914 |
| 8 | 3s | 1.141723 | .02773750 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .678383 | < R2 > | .542056 | < 1/R > | 2.139718 | < 1/R**2 > | 18.629105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.127815 | .89362796 |
| 2 | 1s | 15.379585 | .10656305 |
| 3 | 2s | 9.530673 | .01808450 |
| 4 | 3s | 11.224633 | -.01534518 |
| 5 | 5s | 25.955582 | .00104831 |
| 6 | 4s | 57.252561 | -.00006246 |
| 7 | 5s | 10.508598 | .00184590 |
| 8 | 3s | 1.560046 | .00369376 |
| 9 | 4s | 2.170214 | -.00353152 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142198 | < R2 > | .027165 | < 1/R > | 10.637177 | < 1/R**2 > | 228.504804 |
Total Energy= -149.77967286 a.u.
Kinetic Energy= 149.76968659 a.u.
Potential Energy= -299.54935945 a.u.
Virial Ratio = -2.00006668