(1s 2 2s 2 2p 5 4p 1 ) 1 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 6.227430 | .16763540 |
| 2 | 3p | 1.063774 | 1.98206482 |
| 3 | 4p | 2.254798 | -1.23140045 |
| 4 | 5p | 4.164211 | -.15561555 |
| 5 | 3p | 9.360900 | -.01211074 |
| 6 | 5p | 1.088158 | -.53194229 |
| 7 | 4p | .820311 | .22509616 |
| 8 | 5p | 31.939735 | -.00020988 |
| 9 | 4p | 48.947602 | -.00003373 |
| 10 | 5p | .743612 | -.03228175 |
| ORB.ENERGY,a.u. | -.976030 | ||
| NORM | 1.000000 | < R > | 3.676972 | < R2 > | 15.284645 | < 1/R > | .378004 | < 1/R**2 > | .422864 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.354997 | 1.25853560 |
| 2 | 3p | 5.157759 | -.34140689 |
| 3 | 2p | 10.525673 | .07834472 |
| 4 | 4p | 12.512952 | .01654835 |
| 5 | 5p | 29.871955 | .00014816 |
| 6 | 5p | 1.560268 | .00101586 |
| 7 | 4p | 51.960304 | .00004309 |
| ORB.ENERGY,a.u. | -7.094000 | ||
| NORM | 1.000000 | < R > | .506826 | < R2 > | .318385 | < 1/R > | 2.563539 | < 1/R**2 > | 9.171622 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.403494 | .36071416 |
| 2 | 2s | 5.635817 | -.82948546 |
| 3 | 3s | 4.910963 | -.30135745 |
| 4 | 4s | 17.912609 | .00444688 |
| 5 | 3s | 16.323902 | .00664478 |
| 6 | 5s | 35.603805 | .00033067 |
| 7 | 5s | 4.656796 | -.00390785 |
| 8 | 4s | 1.637774 | .00016315 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547417 | < R2 > | .354923 | < 1/R > | 2.662506 | < 1/R**2 > | 29.132712 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199305 | .91834203 |
| 2 | 1s | 19.515319 | .07855303 |
| 3 | 2s | 7.786644 | .02031419 |
| 4 | 3s | 9.773561 | -.02094212 |
| 5 | 4s | 12.327304 | .01067325 |
| 6 | 5s | 33.185085 | .00087409 |
| 7 | 4s | 77.869632 | -.00004317 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111313 | < R2 > | .016656 | < 1/R > | 13.589978 | < 1/R**2 > | 372.754325 |
Total Energy= -280.08036732 a.u.
Kinetic Energy= 280.07775217 a.u.
Potential Energy= -560.15811950 a.u.
Virial Ratio = -2.00000934