(1s 2 2s 2 2p 4 3d 1 ) 4 F Cl 8+
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 | 3.208766 | 1.11712358 |
| 2 | 3d | 7.737623 | .03853479 |
| 3 | 4d | 3.992900 | -.14566201 |
| 4 | 5d | 24.679746 | -.00014392 |
| 5 | 5d | 2.972134 | .00941341 |
| 6 | 4d | 71.772647 | .00000150 |
| ORB.ENERGY,a.u. | -4.741100 | ||
| NORM | 1.000000 | < R > | 1.070903 | < R2 > | 1.327785 | < 1/R > | 1.110175 | < 1/R**2 > | 1.520302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.915982 | 1.17922735 |
| 2 | 3p | 6.632721 | -.26417788 |
| 3 | 2p | 12.765089 | .07714126 |
| 4 | 4p | 15.174046 | .01234624 |
| 5 | 5p | 41.420952 | -.00012244 |
| 6 | 5p | 2.912644 | .00012586 |
| ORB.ENERGY,a.u. | -15.551000 | ||
| NORM | 1.000000 | < R > | .375671 | < R2 > | .172817 | < 1/R > | 3.408706 | < 1/R**2 > | 15.947882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.480922 | .40505473 |
| 2 | 2s | 7.292569 | -.85408717 |
| 3 | 3s | 6.745172 | -.30001167 |
| 4 | 4s | 17.933947 | .00685080 |
| 5 | 3s | 20.149437 | .00792898 |
| 6 | 5s | 36.433512 | .00059816 |
| 7 | 5s | 6.348405 | -.00665473 |
| 8 | 2s | 92.413262 | .00000632 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421774 | < R2 > | .209392 | < 1/R > | 3.474320 | < 1/R**2 > | 49.307349 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160209 | .92045338 |
| 2 | 1s | 23.358413 | .07584201 |
| 3 | 2s | 10.427261 | .02020454 |
| 4 | 3s | 12.738824 | -.02015155 |
| 5 | 4s | 15.486589 | .00891768 |
| 6 | 5s | 41.436883 | .00081869 |
| 7 | 4s | 103.440666 | -.00002304 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091025 | < R2 > | .011119 | < 1/R > | 16.590849 | < 1/R**2 > | 554.593834 |
Total Energy= -422.06096182 a.u.
Kinetic Energy= 422.07940014 a.u.
Potential Energy= -844.14036196 a.u.
Virial Ratio = -1.99995632