(1s 2 2s 2 2p 5 3d 1 ) 1 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | .683708 | .95627227 |
| 2 | 3d | 2.498778 | .04162214 |
| 3 | 4d | 3.108704 | -.02194703 |
| 4 | 5d | 7.039837 | -.00055802 |
| 5 | 5d | .730730 | .04561225 |
| ORB.ENERGY,a.u. | -.222780 | ||
| NORM | 1.000000 | < R > | 5.185879 | < R2 > | 30.869495 | < 1/R > | .227090 | < 1/R**2 > | .063283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.834465 | 1.40860259 |
| 2 | 3p | 3.439415 | -.51363877 |
| 3 | 2p | 7.752677 | .10125197 |
| 4 | 4p | 8.784204 | .02800975 |
| 5 | 5p | 2.227476 | .02737753 |
| 6 | 4p | 2.019662 | -.03154424 |
| 7 | 5p | 25.829787 | -.00029081 |
| 8 | 4p | 16.701282 | .00064873 |
| ORB.ENERGY,a.u. | -2.266800 | ||
| NORM | 1.000000 | < R > | .738721 | < R2 > | .689518 | < 1/R > | 1.796879 | < 1/R**2 > | 4.609970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.126234 | .32113591 |
| 2 | 2s | 4.171492 | -.81092583 |
| 3 | 3s | 3.319756 | -.31950344 |
| 4 | 4s | 14.692035 | .01164678 |
| 5 | 3s | 19.559069 | .00202541 |
| 6 | 5s | 28.032738 | .00046169 |
| 7 | 5s | 2.358814 | -.00531983 |
| 8 | 4s | 2.636688 | .00814050 |
| 9 | 3s | 1.459505 | .00174015 |
| 10 | 2s | 83.398474 | .00000164 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753042 | < R2 > | .678114 | < 1/R > | 1.927005 | < 1/R**2 > | 15.316223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337041 |
| 2 | 1s | 15.492794 | .08642431 |
| 3 | 2s | 5.346045 | .01503877 |
| 4 | 3s | 7.014869 | -.01793774 |
| 5 | 4s | 9.114185 | .01105059 |
| 6 | 5s | 25.925853 | .00104935 |
| 7 | 4s | 58.316936 | -.00005716 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611093 | < 1/R**2 > | 227.652901 |
Total Energy= -160.22436871 a.u.
Kinetic Energy= 160.22019445 a.u.
Potential Energy= -320.44456316 a.u.
Virial Ratio = -2.00002605