(1s 1 3d 1 ) 1 D Si 12+
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 | 4.332557 | 1.00014802 |
| 2 | 3d | 10.612206 | -.00029352 |
| 3 | 4d | 45.571548 | .00002161 |
| ORB.ENERGY,a.u. | -9.647200 | ||
| NORM | 1.000000 | < R > | .807937 | < R2 > | .745976 | < 1/R > | 1.443882 | < 1/R**2 > | 2.501413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755953 | .88932932 |
| 2 | 1s | 16.406517 | .10550698 |
| 3 | 2s | 15.664946 | .01032722 |
| 4 | 3s | 14.072608 | -.00532226 |
| 5 | 4s | 16.318459 | .00019799 |
| 6 | 5s | 16.955532 | .00035727 |
| ORB.ENERGY,a.u. | -96.758000 |
| NORM | 1.000000 | < R > | .107137 | < R2 > | .015304 | < 1/R > | 14.000407 | < 1/R**2 > | 392.017032 |
Total Energy= -107.41277622 a.u.
Kinetic Energy= 107.38728146 a.u.
Potential Energy= -214.80005768 a.u.
Virial Ratio = -2.00023741