(1s 2 2s 2 2p 1 4d 1 ) 1 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 2.544753 | 1.40759028 |
| 2 | 4d | 2.225429 | -1.90065074 |
| 3 | 3d | 6.827432 | .02457532 |
| 4 | 5d | 1.641678 | .00849068 |
| 5 | 4d | 7.974559 | -.00648060 |
| 6 | 5d | 23.418261 | -.00032747 |
| 7 | 3d | 1.060627 | -.00370107 |
| 8 | 4d | 40.217638 | -.00003197 |
| ORB.ENERGY,a.u. | -2.551500 | ||
| NORM | 1.000000 | < R > | 2.303809 | < R2 > | 6.082430 | < 1/R > | .575880 | < 1/R**2 > | .543145 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.637503 | 1.11655847 |
| 2 | 3p | 6.942126 | -.13858991 |
| 3 | 2p | 14.075128 | .01354702 |
| 4 | 5p | 11.753985 | .00742489 |
| 5 | 4p | 3.113152 | .00031623 |
| 6 | 5p | 18.377446 | .00360416 |
| 7 | 5p | 4.289440 | .00068553 |
| ORB.ENERGY,a.u. | -14.108000 | ||
| NORM | 1.000000 | < R > | .430905 | < R2 > | .224992 | < 1/R > | 2.936813 | < 1/R**2 > | 11.687830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.152105 | .36464794 |
| 2 | 2s | 5.189819 | -.80495303 |
| 3 | 3s | 7.630162 | -.28114156 |
| 4 | 4s | 26.203898 | .00147258 |
| 5 | 5s | 14.820024 | -.01128010 |
| 6 | 5s | 5.723228 | .01772227 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494652 | < R2 > | .286452 | < 1/R > | 2.959464 | < 1/R**2 > | 35.445021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162365 | .92548390 |
| 2 | 1s | 20.204586 | .07499506 |
| 3 | 2s | 11.642941 | .01894421 |
| 4 | 3s | 14.520488 | -.01694609 |
| 5 | 4s | 67.552513 | -.00007329 |
| 6 | 5s | 32.578124 | .00074374 |
| 7 | 4s | 4.900705 | .00002771 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110547 | < R2 > | .016376 | < 1/R > | 13.649312 | < 1/R**2 > | 375.270762 |
Total Energy= -241.16113107 a.u.
Kinetic Energy= 241.10875720 a.u.
Potential Energy= -482.26988827 a.u.
Virial Ratio = -2.00021722