(1s 2 2s 2 2p 4 4d 1 ) 4 F Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | .881112 | 1.26176228 |
| 2 | 4d | .755870 | -1.78202759 |
| 3 | 3d | 3.444745 | .03544100 |
| 4 | 4d | 2.189086 | .03624486 |
| 5 | 5d | 5.613997 | -.00318059 |
| 6 | 4d | 21.312521 | .00003062 |
| ORB.ENERGY,a.u. | -.290320 | ||
| NORM | 1.000002 | < R > | 6.695452 | < R2 > | 51.620307 | < 1/R > | .202562 | < 1/R**2 > | .071103 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.188216 | 1.36221300 |
| 2 | 3p | 3.866254 | -.43044522 |
| 3 | 2p | 8.519949 | .06478004 |
| 4 | 4p | 9.695305 | .01802617 |
| 5 | 5p | 44.883783 | .00002538 |
| 6 | 5p | 2.364415 | .02874578 |
| 7 | 4p | 64.762323 | .00000821 |
| 8 | 4p | 2.075735 | -.03149873 |
| ORB.ENERGY,a.u. | -3.332900 | ||
| NORM | 1.000000 | < R > | .689734 | < R2 > | .592772 | < 1/R > | 1.895460 | < 1/R**2 > | 5.051429 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.072080 | .33501479 |
| 2 | 2s | 4.234304 | -.82978695 |
| 3 | 3s | 3.563458 | -.29486353 |
| 4 | 4s | 13.870332 | .01092688 |
| 5 | 3s | 15.405546 | .00466075 |
| 6 | 5s | 28.209130 | .00038073 |
| 7 | 5s | 2.699314 | -.00061393 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727753 | < R2 > | .629381 | < 1/R > | 1.992006 | < 1/R**2 > | 16.293333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123833 |
| 2 | 1s | 15.432582 | .08737054 |
| 3 | 2s | 5.655098 | .01836635 |
| 4 | 3s | 7.094690 | -.01930106 |
| 5 | 4s | 9.047446 | .00950866 |
| 6 | 5s | 26.209517 | .00114958 |
| 7 | 4s | 61.707351 | -.00004682 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142635 | < R2 > | .027370 | < 1/R > | 10.617119 | < 1/R**2 > | 227.848044 |
Total Energy= -157.71426621 a.u.
Kinetic Energy= 157.71406953 a.u.
Potential Energy= -315.42833574 a.u.
Virial Ratio = -2.00000125