(1s 2 2s 2 2p 1 3d 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | 2.044613 | .92905475 |
| 2 | 3d | 4.720314 | .05221586 |
| 3 | 4d | 3.294991 | .05589779 |
| 4 | 5d | 3.427537 | -.01242138 |
| 5 | 4d | 9.368999 | -.00063317 |
| 6 | 5d | 16.568953 | -.00017680 |
| ORB.ENERGY,a.u. | -2.063100 | ||
| NORM | 1.000000 | < R > | 1.650614 | < R2 > | 3.145219 | < 1/R > | .717330 | < 1/R**2 > | .631047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.096348 | 1.10221485 |
| 2 | 3p | 4.889831 | -.13712590 |
| 3 | 2p | 9.491631 | .03190855 |
| 4 | 5p | 11.576366 | .00571954 |
| 5 | 4p | 22.062976 | -.00081601 |
| 6 | 5p | 65.636112 | -.00002096 |
| 7 | 5p | 3.984535 | .01176442 |
| 8 | 4p | 3.735979 | -.00253896 |
| ORB.ENERGY,a.u. | -6.913800 | ||
| NORM | 1.000000 | < R > | .587354 | < R2 > | .420340 | < 1/R > | 2.167940 | < 1/R**2 > | 6.415619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.732894 | .33395576 |
| 2 | 2s | 3.790804 | -.79422236 |
| 3 | 3s | 5.856927 | -.27344330 |
| 4 | 4s | 20.886424 | .00156943 |
| 5 | 5s | 11.481856 | -.01567847 |
| 6 | 5s | 4.403423 | .01921490 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660083 | < R2 > | .511557 | < 1/R > | 2.203234 | < 1/R**2 > | 19.679984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216964 | .92212130 |
| 2 | 1s | 16.036834 | .08040121 |
| 3 | 2s | 9.067859 | .01627674 |
| 4 | 3s | 11.626903 | -.01585387 |
| 5 | 4s | 57.836781 | -.00006548 |
| 6 | 5s | 25.327856 | .00122745 |
| 7 | 5s | 6.671083 | .00013870 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141849 | < R2 > | .026998 | < 1/R > | 10.653641 | < 1/R**2 > | 229.051146 |
Total Energy= -144.53239003 a.u.
Kinetic Energy= 144.50942621 a.u.
Potential Energy= -289.04181624 a.u.
Virial Ratio = -2.00015891