(1s 1 5d 1 ) 3 D Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 2.599686 | 3.55289109 |
| 2 | 4d | 2.600201 | -8.86896599 |
| 3 | 5d | 2.601164 | 6.00769595 |
| 4 | 3d | 11.114948 | .00075386 |
| 5 | 5d | 18.163391 | -.00026855 |
| 6 | 4d | 1.925884 | .00350583 |
| ORB.ENERGY,a.u. | -3.638200 | ||
| NORM | .999997 | < R > | 2.652854 | < R2 > | 7.982633 | < 1/R > | .520373 | < 1/R**2 > | .542211 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755450 | .88933758 |
| 2 | 1s | 16.405716 | .10551306 |
| 3 | 2s | 15.441941 | .01066637 |
| 4 | 3s | 14.679465 | -.00518602 |
| 5 | 4s | 18.192841 | .00000816 |
| 6 | 5s | 20.553240 | .00003299 |
| ORB.ENERGY,a.u. | -97.718000 |
| NORM | 1.000000 | < R > | .107147 | < R2 > | .015308 | < 1/R > | 13.999727 | < 1/R**2 > | 391.988606 |
Total Energy= -101.38739582 a.u.
Kinetic Energy= 101.38103402 a.u.
Potential Energy= -202.76842984 a.u.
Virial Ratio = -2.00006275