(1s 2 2s 1 4d 1 ) 1 D Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 2.861715 | 1.84958511 |
| 2 | 4d | 2.749489 | -2.35425894 |
| 3 | 3d | 8.549181 | .00947436 |
| 4 | 4d | 9.127204 | -.00288276 |
| 5 | 5d | 25.625758 | -.00033622 |
| 6 | 5d | 2.506555 | -.00283529 |
| 7 | 4d | 44.773527 | -.00003100 |
| ORB.ENERGY,a.u. | -3.788100 | ||
| NORM | 1.000001 | < R > | 1.901855 | < R2 > | 4.140444 | < 1/R > | .693740 | < 1/R**2 > | .777323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.561552 | .41588450 |
| 2 | 2s | 5.954377 | -.79807791 |
| 3 | 3s | 7.196983 | -.30226940 |
| 4 | 5s | 12.483469 | -.02540359 |
| 5 | 4s | 24.980257 | .00553720 |
| 6 | 5s | 33.162079 | -.00117477 |
| 7 | 5s | 3.435685 | -.00017114 |
| 8 | 3s | 50.820544 | .00006045 |
| ORB.ENERGY,a.u. | -18.516000 | ||
| NORM | 1.000000 | < R > | .471913 | < R2 > | .259807 | < 1/R > | 3.122275 | < 1/R**2 > | 39.315012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.409200 | .93605955 |
| 2 | 1s | 21.383219 | .05191000 |
| 3 | 2s | 16.513004 | .01651844 |
| 4 | 3s | 9.770519 | .00165392 |
| 5 | 4s | 56.449012 | -.00049231 |
| 6 | 5s | 75.548342 | .00018037 |
| 7 | 5s | 6.774050 | .00011424 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110251 | < R2 > | .016274 | < 1/R > | 13.674846 | < 1/R**2 > | 376.404110 |
Total Energy= -210.46661529 a.u.
Kinetic Energy= 210.32544788 a.u.
Potential Energy= -420.79206317 a.u.
Virial Ratio = -2.00067119