(1s 2 2s 2 2p 5 3d 1 ) 1 F Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | .693071 | .95317136 |
| 2 | 3d | 1.969002 | .04422679 |
| 3 | 4d | 2.406172 | -.02324733 |
| 4 | 5d | 6.207501 | .00054037 |
| 5 | 5d | .727840 | .04604065 |
| 6 | 3d | 5.149271 | .00202526 |
| ORB.ENERGY,a.u. | -.225710 | ||
| NORM | 1.000000 | < R > | 5.107776 | < R2 > | 29.981414 | < 1/R > | .230859 | < 1/R**2 > | .065465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.834234 | 1.40900608 |
| 2 | 3p | 3.439222 | -.51407305 |
| 3 | 2p | 7.753623 | .10119044 |
| 4 | 4p | 8.785989 | .02799685 |
| 5 | 5p | 2.224120 | .02737201 |
| 6 | 4p | 2.013032 | -.03144891 |
| 7 | 5p | 25.833951 | -.00029180 |
| 8 | 4p | 16.727449 | .00064870 |
| ORB.ENERGY,a.u. | -2.269700 | ||
| NORM | 1.000000 | < R > | .738812 | < R2 > | .689706 | < 1/R > | 1.796716 | < 1/R**2 > | 4.609284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.130844 | .32089740 |
| 2 | 2s | 4.171512 | -.81089399 |
| 3 | 3s | 3.319413 | -.31960613 |
| 4 | 4s | 14.704615 | .01192597 |
| 5 | 3s | 20.497300 | .00191384 |
| 6 | 5s | 27.248123 | .00059404 |
| 7 | 5s | 2.383410 | -.00591573 |
| 8 | 4s | 2.605532 | .00873949 |
| 9 | 3s | 1.476507 | .00179980 |
| 10 | 2s | 66.762131 | .00000462 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753038 | < R2 > | .678112 | < 1/R > | 1.927027 | < 1/R**2 > | 15.316604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337071 |
| 2 | 1s | 15.492983 | .08642330 |
| 3 | 2s | 5.346186 | .01503865 |
| 4 | 3s | 7.015152 | -.01793707 |
| 5 | 4s | 9.114770 | .01104909 |
| 6 | 5s | 25.939896 | .00104991 |
| 7 | 4s | 58.282217 | -.00005667 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611106 | < 1/R**2 > | 227.653323 |
Total Energy= -160.22444702 a.u.
Kinetic Energy= 160.22312170 a.u.
Potential Energy= -320.44756873 a.u.
Virial Ratio = -2.00000827