(1s 2 2s 2 2p 2 5d 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | 1.271538 | 1.52080047 |
| 2 | 4d | 1.127236 | -3.87358270 |
| 3 | 5d | .997443 | 2.99275442 |
| 4 | 3d | 2.906745 | .07602605 |
| 5 | 5d | 4.448957 | -.01613181 |
| 6 | 4d | 8.440502 | .00262718 |
| 7 | 5d | 19.853766 | .00003484 |
| 8 | 5d | .778483 | -.02152285 |
| 9 | 3d | 13.276010 | .00028612 |
| ORB.ENERGY,a.u. | -.517610 | ||
| NORM | 1.000002 | < R > | 6.636078 | < R2 > | 50.060155 | < 1/R > | .212044 | < 1/R**2 > | .096314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.847649 | 1.22787274 |
| 2 | 3p | 4.655630 | -.25274171 |
| 3 | 2p | 10.902213 | .02073719 |
| 4 | 4p | 12.729784 | .00874901 |
| 5 | 5p | 18.192942 | -.00203550 |
| 6 | 5p | 3.158726 | .00086505 |
| 7 | 4p | 50.017242 | .00003727 |
| ORB.ENERGY,a.u. | -6.095900 | ||
| NORM | 1.000000 | < R > | .612751 | < R2 > | .459001 | < 1/R > | 2.088035 | < 1/R**2 > | 5.988815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.007442 | .36333787 |
| 2 | 2s | 4.422221 | -.82557646 |
| 3 | 3s | 4.502610 | -.26828317 |
| 4 | 4s | 17.493809 | .00283944 |
| 5 | 3s | 10.941387 | .01736374 |
| 6 | 5s | 4.493276 | -.04165539 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679672 | < R2 > | .543685 | < 1/R > | 2.135345 | < 1/R**2 > | 18.557814 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126638 | .89441257 |
| 2 | 1s | 15.410195 | .10594672 |
| 3 | 2s | 9.686396 | .01798313 |
| 4 | 3s | 11.814846 | -.01486693 |
| 5 | 5s | 26.560383 | .00135781 |
| 6 | 4s | 68.186933 | -.00003312 |
| 7 | 5s | 8.580313 | .00097607 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027153 | < 1/R > | 10.637931 | < 1/R**2 > | 228.530481 |
Total Energy= -149.28738926 a.u.
Kinetic Energy= 149.28817926 a.u.
Potential Energy= -298.57556852 a.u.
Virial Ratio = -1.99999471