(1s 2 2s 2 2p 4 3d 1 ) 4 F Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 1.074166 | 1.10132279 |
| 2 | 3d | 3.499241 | .03855393 |
| 3 | 4d | 1.436426 | -.13794507 |
| 4 | 5d | 5.469284 | -.00451918 |
| 5 | 5d | 1.034652 | .03152503 |
| 6 | 4d | 20.345848 | .00004799 |
| ORB.ENERGY,a.u. | -.516560 | ||
| NORM | 1.000000 | < R > | 3.288463 | < R2 > | 12.519015 | < 1/R > | .362922 | < 1/R**2 > | .164848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.137598 | 1.38299311 |
| 2 | 3p | 3.808089 | -.44951965 |
| 3 | 2p | 8.341969 | .07120204 |
| 4 | 4p | 9.468681 | .01895173 |
| 5 | 5p | 25.305084 | -.00009931 |
| 6 | 5p | 2.716989 | .01126329 |
| 7 | 4p | 55.408337 | .00000603 |
| 8 | 4p | 2.905987 | -.02598964 |
| ORB.ENERGY,a.u. | -3.143700 | ||
| NORM | 1.000000 | < R > | .690512 | < R2 > | .594567 | < 1/R > | 1.894297 | < 1/R**2 > | 5.046840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.069965 | .33504175 |
| 2 | 2s | 4.235639 | -.82980221 |
| 3 | 3s | 3.560180 | -.29502932 |
| 4 | 4s | 13.846105 | .01105337 |
| 5 | 3s | 15.427811 | .00465091 |
| 6 | 5s | 28.249126 | .00038690 |
| 7 | 5s | 2.571131 | -.00117429 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728085 | < R2 > | .630124 | < 1/R > | 1.991385 | < 1/R**2 > | 16.284981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91124102 |
| 2 | 1s | 15.433333 | .08736654 |
| 3 | 2s | 5.657352 | .01835677 |
| 4 | 3s | 7.097859 | -.01929202 |
| 5 | 4s | 9.050409 | .00950255 |
| 6 | 5s | 26.248754 | .00115285 |
| 7 | 4s | 61.719197 | -.00004492 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142634 | < R2 > | .027370 | < 1/R > | 10.617187 | < 1/R**2 > | 227.850340 |
Total Energy= -157.94125942 a.u.
Kinetic Energy= 157.94033580 a.u.
Potential Energy= -315.88159522 a.u.
Virial Ratio = -2.00000585