(1s 2 2s 2 2p 2 4d 1 ) 4 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | 2.933845 | 1.26937972 |
| 2 | 4d | 2.499767 | -1.79353042 |
| 3 | 3d | 6.109531 | .05026401 |
| 4 | 5d | 8.919607 | -.00964771 |
| 5 | 4d | 20.290231 | .00012818 |
| 6 | 5d | 2.228163 | .01263575 |
| 7 | 3d | 23.144414 | .00011244 |
| ORB.ENERGY,a.u. | -3.213100 | ||
| NORM | 1.000000 | < R > | 2.030912 | < R2 > | 4.727399 | < 1/R > | .654458 | < 1/R**2 > | .706381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.305443 | 1.13109472 |
| 2 | 3p | 7.379909 | -.15490390 |
| 3 | 2p | 15.755834 | .01964990 |
| 4 | 4p | 18.682782 | .00880327 |
| 5 | 5p | 25.844295 | -.00213769 |
| 6 | 5p | 3.366540 | .00043527 |
| 7 | 4p | 68.368631 | .00004845 |
| ORB.ENERGY,a.u. | -17.867000 | ||
| NORM | 1.000000 | < R > | .378545 | < R2 > | .173945 | < 1/R > | 3.349978 | < 1/R**2 > | 15.241859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.626504 | .42154807 |
| 2 | 2s | 6.968662 | -.86237979 |
| 3 | 3s | 7.093820 | -.28398973 |
| 4 | 4s | 26.747940 | .00207925 |
| 5 | 3s | 15.044298 | .01648478 |
| 6 | 5s | 7.139108 | -.02204175 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433600 | < R2 > | .220361 | < 1/R > | 3.381939 | < 1/R**2 > | 46.415643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672086 |
| 2 | 1s | 23.113123 | .07200748 |
| 3 | 2s | 14.129950 | .01947678 |
| 4 | 3s | 17.754738 | -.01558695 |
| 5 | 5s | 37.718649 | .00090159 |
| 6 | 4s | 89.270498 | -.00003625 |
| 7 | 5s | 11.779936 | .00037135 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626942 | < 1/R**2 > | 491.750334 |
Total Energy= -338.15382097 a.u.
Kinetic Energy= 338.14151106 a.u.
Potential Energy= -676.29533203 a.u.
Virial Ratio = -2.00003640