(1s 2 2s 2 2p 5 5d 1 ) 1 F Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | 2.188871 | 1.21167859 |
| 2 | 4d | 1.691874 | -4.30305959 |
| 3 | 5d | 1.613544 | 3.81588389 |
| 4 | 3d | 4.991849 | .06685240 |
| 5 | 5d | 7.483381 | -.01571932 |
| 6 | 4d | 13.901486 | .00213536 |
| 7 | 5d | 1.357761 | -.03232777 |
| 8 | 3d | 19.310470 | .00035914 |
| ORB.ENERGY,a.u. | -1.322400 | ||
| NORM | .999999 | < R > | 4.154270 | < R2 > | 19.624029 | < 1/R > | .339376 | < 1/R**2 > | .248018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.883472 | 1.18719553 |
| 2 | 3p | 6.944502 | -.25370914 |
| 3 | 2p | 13.036494 | .06612966 |
| 4 | 4p | 15.807652 | .00938649 |
| 5 | 5p | 39.315407 | -.00014249 |
| 6 | 5p | 4.644590 | .00031345 |
| ORB.ENERGY,a.u. | -14.311000 | ||
| NORM | 1.000000 | < R > | .387039 | < R2 > | .184083 | < 1/R > | 3.323719 | < 1/R**2 > | 15.244864 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.627354 | .39094135 |
| 2 | 2s | 7.160415 | -.84108664 |
| 3 | 3s | 6.493702 | -.30493785 |
| 4 | 4s | 19.196272 | .00414736 |
| 5 | 3s | 20.249148 | .00678167 |
| 6 | 5s | 37.178470 | .00043988 |
| 7 | 5s | 5.450810 | -.00444678 |
| 8 | 4s | 3.984729 | .00270867 |
| 9 | 3s | 2.732732 | -.00068917 |
| 10 | 2s | 80.524798 | .00000926 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429455 | < R2 > | .217437 | < 1/R > | 3.408361 | < 1/R**2 > | 47.585942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695553 |
| 2 | 1s | 23.718939 | .06885605 |
| 3 | 2s | 10.142286 | .02130432 |
| 4 | 3s | 12.568450 | -.02159494 |
| 5 | 4s | 15.578048 | .01061051 |
| 6 | 5s | 40.656751 | .00070448 |
| 7 | 4s | 92.659269 | -.00003554 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091151 | < R2 > | .011157 | < 1/R > | 16.576383 | < 1/R**2 > | 553.846274 |
Total Energy= -433.33224168 a.u.
Kinetic Energy= 433.32803146 a.u.
Potential Energy= -866.66027315 a.u.
Virial Ratio = -2.00000972