(1s 2 2s 2 4d 1 ) 2 D Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.771873 | 1.94127294 |
| 2 | 4d | 1.781969 | -2.53608697 |
| 3 | 3d | 5.070476 | .03306887 |
| 4 | 4d | 3.680809 | .04485925 |
| 5 | 5d | 15.919819 | -.00033380 |
| 6 | 5d | 1.143725 | -.00074323 |
| ORB.ENERGY,a.u. | -1.569700 | ||
| NORM | .999999 | < R > | 2.911344 | < R2 > | 9.708696 | < 1/R > | .455726 | < 1/R**2 > | .341512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.412181 | .36451353 |
| 2 | 2s | 4.230543 | -.78404943 |
| 3 | 3s | 5.469296 | -.28244291 |
| 4 | 5s | 10.591172 | -.02353598 |
| 5 | 4s | 21.660782 | .00346615 |
| 6 | 5s | 31.276068 | -.00061490 |
| 7 | 4s | 2.447573 | .00040587 |
| ORB.ENERGY,a.u. | -9.105700 | ||
| NORM | 1.000000 | < R > | .637196 | < R2 > | .474798 | < 1/R > | 2.286353 | < 1/R**2 > | 21.080552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.348717 | .94523313 |
| 2 | 1s | 17.402706 | .05323219 |
| 3 | 2s | 10.532168 | .01981366 |
| 4 | 3s | 12.770071 | -.01579300 |
| 5 | 5s | 23.606213 | .00145518 |
| 6 | 4s | 53.697520 | -.00010537 |
| ORB.ENERGY,a.u. | -49.419000 |
| NORM | 1.000000 | < R > | .141458 | < R2 > | .026817 | < 1/R > | 10.672435 | < 1/R**2 > | 229.676793 |
Total Energy= -136.36103009 a.u.
Kinetic Energy= 136.35800372 a.u.
Potential Energy= -272.71903381 a.u.
Virial Ratio = -2.00002219