(1s 2 2s 2 2p 5 5s 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 11.989085 | .04691789 |
| 2 | 2s | 3.925017 | -.22400517 |
| 3 | 3s | 1.886542 | 1.15607582 |
| 4 | 4s | 1.356763 | -2.90115256 |
| 5 | 5s | 1.163754 | 2.54886821 |
| 6 | 5s | 12.384226 | -.01307157 |
| 7 | 4s | 16.548108 | -.00579848 |
| 8 | 5s | 47.888425 | -.00016446 |
| 9 | 4s | 75.367349 | -.00002924 |
| ORB.ENERGY,a.u. | -.658610 | ||
| NORM | 1.000004 | < R > | 5.718266 | < R2 > | 36.603237 | < 1/R > | .247499 | < 1/R**2 > | .607003 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.354605 | 1.25797405 |
| 2 | 3p | 5.158054 | -.34153649 |
| 3 | 2p | 10.450919 | .07989918 |
| 4 | 5p | 75.602625 | .00001303 |
| 5 | 4p | 12.421096 | .01569328 |
| 6 | 5p | 2.929917 | .00028101 |
| ORB.ENERGY,a.u. | -7.252100 | ||
| NORM | 1.000000 | < R > | .506730 | < R2 > | .318252 | < 1/R > | 2.564023 | < 1/R**2 > | 9.174914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.564874 | .31209106 |
| 2 | 2s | 4.567166 | -.77720262 |
| 3 | 3s | 8.012869 | -.23062414 |
| 4 | 4s | 6.339552 | -.05323897 |
| 5 | 5s | 16.617723 | -.00875003 |
| 6 | 5s | 1.969919 | .00867960 |
| 7 | 4s | 1.765728 | -.00742390 |
| 8 | 4s | 60.710841 | -.00003240 |
| 9 | 3s | .799253 | -.00202669 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547054 | < R2 > | .354438 | < 1/R > | 2.664308 | < 1/R**2 > | 29.169648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199627 | .91834382 |
| 2 | 1s | 19.507350 | .07860043 |
| 3 | 2s | 7.675046 | .02047082 |
| 4 | 3s | 9.643659 | -.02130584 |
| 5 | 4s | 12.244776 | .01077489 |
| 6 | 5s | 33.403198 | .00089224 |
| 7 | 4s | 77.994404 | -.00003842 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111307 | < R2 > | .016654 | < 1/R > | 13.590462 | < 1/R**2 > | 372.774668 |
Total Energy= -279.75862874 a.u.
Kinetic Energy= 279.75988179 a.u.
Potential Energy= -559.51851053 a.u.
Virial Ratio = -1.99999552