(1s 2 2s 2 2p 4 3d 1 ) 4 F Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | 2.162335 | 1.11545802 |
| 2 | 3d | 5.580262 | .04555342 |
| 3 | 4d | 2.741037 | -.15205920 |
| 4 | 5d | 8.044145 | -.00205383 |
| 5 | 5d | 2.057449 | .01928341 |
| 6 | 4d | 34.009137 | .00002810 |
| ORB.ENERGY,a.u. | -2.107300 | ||
| NORM | 1.000000 | < R > | 1.598826 | < R2 > | 2.966280 | < 1/R > | .746948 | < 1/R**2 > | .694200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.564972 | 1.27276225 |
| 2 | 2p | 11.021462 | .06193191 |
| 3 | 3p | 5.336796 | -.34088426 |
| 4 | 4p | 13.101388 | .01430535 |
| 5 | 5p | 18.318688 | -.00052438 |
| 6 | 5p | 3.297810 | .01316019 |
| 7 | 4p | 2.958666 | -.01496832 |
| 8 | 3p | 34.478568 | .00007403 |
| ORB.ENERGY,a.u. | -8.203300 | ||
| NORM | 1.000000 | < R > | .486090 | < R2 > | .291159 | < 1/R > | 2.653790 | < 1/R**2 > | 9.749012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.286923 | .37578366 |
| 2 | 2s | 5.758054 | -.84137217 |
| 3 | 3s | 5.160654 | -.29694438 |
| 4 | 4s | 15.877582 | .00888510 |
| 5 | 3s | 18.630495 | .00572126 |
| 6 | 5s | 27.927050 | .00085266 |
| 7 | 5s | 4.790616 | -.00605774 |
| 8 | 3s | 43.473164 | -.00008905 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534199 | < R2 > | .337009 | < 1/R > | 2.730697 | < 1/R**2 > | 30.539653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.205154 | .91771958 |
| 2 | 1s | 19.462548 | .07931781 |
| 3 | 2s | 8.049194 | .01965773 |
| 4 | 3s | 9.936673 | -.01991072 |
| 5 | 4s | 12.311397 | .00936212 |
| 6 | 5s | 33.773768 | .00094460 |
| 7 | 4s | 81.022301 | -.00003196 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111161 | < R2 > | .016600 | < 1/R > | 13.601507 | < 1/R**2 > | 373.240194 |
Total Energy= -273.71643030 a.u.
Kinetic Energy= 273.72369662 a.u.
Potential Energy= -547.44012692 a.u.
Virial Ratio = -1.99997345