(1s 2 2s 2 2p 3 3d 1 ) 3 D Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 1.358359 | 1.05843106 |
| 2 | 3d | 4.180091 | .02381947 |
| 3 | 4d | 1.674210 | -.06625669 |
| 4 | 5d | 6.020977 | -.00341253 |
| 5 | 4d | 23.564311 | .00003409 |
| ORB.ENERGY,a.u. | -.902990 | ||
| NORM | 1.000000 | < R > | 2.549023 | < R2 > | 7.470419 | < 1/R > | .462592 | < 1/R**2 > | .261961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.765082 | 1.49688240 |
| 2 | 3p | 4.882721 | -.64441643 |
| 3 | 4p | 6.056658 | .13982831 |
| 4 | 5p | 18.330379 | -.00345297 |
| 5 | 4p | 2.530476 | .01756576 |
| 6 | 4p | 24.080034 | -.00161441 |
| 7 | 5p | 2.529545 | -.00767160 |
| 8 | 3p | 33.457013 | -.00014418 |
| ORB.ENERGY,a.u. | -4.501900 | ||
| NORM | 1.000000 | < R > | .644629 | < R2 > | .511540 | < 1/R > | 2.000637 | < 1/R**2 > | 5.547018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.959932 | .35293370 |
| 2 | 2s | 4.358354 | -.84432752 |
| 3 | 3s | 3.809350 | -.29081304 |
| 4 | 4s | 17.931943 | .00252488 |
| 5 | 3s | 10.544908 | .01995606 |
| 6 | 5s | 3.067889 | -.00201112 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .704370 | < R2 > | .586802 | < 1/R > | 2.058783 | < 1/R**2 > | 17.332682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165668 | .90296074 |
| 2 | 1s | 15.521403 | .09697098 |
| 3 | 2s | 8.953288 | .01717508 |
| 4 | 3s | 12.699200 | -.01503415 |
| 5 | 4s | 20.248550 | .00391588 |
| 6 | 5s | 39.845398 | .00009141 |
| 7 | 5s | 7.519383 | .00088536 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142448 | < R2 > | .027280 | < 1/R > | 10.625580 | < 1/R**2 > | 228.124294 |
Total Energy= -154.78095897 a.u.
Kinetic Energy= 154.75832461 a.u.
Potential Energy= -309.53928357 a.u.
Virial Ratio = -2.00014626