(1s 1 4p 1 ) 1 P Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 6.183139 | .45612105 |
| 2 | 3p | 3.008797 | -1.06009583 |
| 3 | 5p | 3.460497 | 1.88384089 |
| 4 | 4p | 4.779425 | -.62081985 |
| 5 | 5p | 10.516464 | .00799151 |
| 6 | 4p | 24.847471 | -.00148672 |
| 7 | 5p | 2.928500 | .08674577 |
| 8 | 5p | 53.816095 | -.00004032 |
| 9 | 3p | 37.342179 | -.00016343 |
| ORB.ENERGY,a.u. | -5.531300 | ||
| NORM | 1.000000 | < R > | 1.772855 | < R2 > | 3.565266 | < 1/R > | .811476 | < 1/R**2 > | 1.758288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755953 | .88933590 |
| 2 | 1s | 16.405716 | .10550903 |
| 3 | 2s | 15.468173 | .01067260 |
| 4 | 3s | 14.779549 | -.00516072 |
| 5 | 4s | 17.398638 | .00002566 |
| 6 | 5s | 8.703469 | .00006000 |
| ORB.ENERGY,a.u. | -97.406000 |
| NORM | 1.000000 | < R > | .107146 | < R2 > | .015308 | < 1/R > | 14.000148 | < 1/R**2 > | 392.013073 |
Total Energy= -103.30296157 a.u.
Kinetic Energy= 103.27001623 a.u.
Potential Energy= -206.57297780 a.u.
Virial Ratio = -2.00031902