(1s 1 4p 1 ) 3 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 6.463809 | .43220756 |
| 2 | 3p | 3.033373 | -1.01808331 |
| 3 | 5p | 3.477420 | 1.86437898 |
| 4 | 4p | 4.847590 | -.60811879 |
| 5 | 5p | 9.732446 | .01400032 |
| 6 | 4p | 21.307811 | -.00151099 |
| 7 | 5p | 2.902950 | .06835730 |
| 8 | 5p | 49.154498 | -.00003355 |
| 9 | 3p | 39.205128 | -.00006461 |
| ORB.ENERGY,a.u. | -5.576300 | ||
| NORM | .999999 | < R > | 1.757708 | < R2 > | 3.504492 | < 1/R > | .819174 | < 1/R**2 > | 1.809479 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.752091 | .88950427 |
| 2 | 1s | 16.369479 | .10578779 |
| 3 | 2s | 16.110911 | .00890314 |
| 4 | 3s | 12.928725 | -.00560282 |
| 5 | 4s | 17.175363 | .00083089 |
| 6 | 5s | 15.406331 | .00120192 |
| ORB.ENERGY,a.u. | -97.451000 |
| NORM | 1.000000 | < R > | .107182 | < R2 > | .015318 | < 1/R > | 13.996149 | < 1/R**2 > | 391.822713 |
Total Energy= -103.30340186 a.u.
Kinetic Energy= 103.31484148 a.u.
Potential Energy= -206.61824333 a.u.
Virial Ratio = -1.99988927