(1s 2 2s 2 2p 5 4d 1 ) 1 F Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 2.658506 | 1.22946653 |
| 2 | 4d | 2.279095 | -1.76712105 |
| 3 | 3d | 7.938079 | .03600671 |
| 4 | 4d | 5.890626 | .03893168 |
| 5 | 5d | 9.542366 | -.00270227 |
| 6 | 4d | 48.779245 | .00001066 |
| ORB.ENERGY,a.u. | -2.631100 | ||
| NORM | 1.000000 | < R > | 2.223019 | < R2 > | 5.675293 | < 1/R > | .603652 | < 1/R**2 > | .615568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.376969 | 1.17397111 |
| 2 | 3p | 7.509260 | -.23711026 |
| 3 | 2p | 14.002279 | .06178632 |
| 4 | 4p | 17.046622 | .00948132 |
| 5 | 4p | 3.872096 | .00081625 |
| 6 | 5p | 3.383192 | -.00045582 |
| 7 | 4p | 70.656829 | .00002179 |
| ORB.ENERGY,a.u. | -16.927000 | ||
| NORM | 1.000000 | < R > | .359142 | < R2 > | .158230 | < 1/R > | 3.574479 | < 1/R**2 > | 17.588899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.333089 | .40032105 |
| 2 | 2s | 7.682543 | -.84652064 |
| 3 | 3s | 7.003220 | -.30627062 |
| 4 | 4s | 19.080144 | .00470038 |
| 5 | 3s | 21.169046 | .00697919 |
| 6 | 5s | 38.476864 | .00054023 |
| 7 | 5s | 6.037731 | -.00353553 |
| 8 | 4s | 4.330042 | .00158840 |
| 9 | 3s | 3.374316 | -.00042973 |
| 10 | 2s | 95.671905 | .00000650 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400930 | < R2 > | .189348 | < 1/R > | 3.655446 | < 1/R**2 > | 54.688858 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052859 |
| 2 | 1s | 25.174346 | .06482710 |
| 3 | 2s | 10.854653 | .02185583 |
| 4 | 3s | 13.391298 | -.02197053 |
| 5 | 4s | 16.616903 | .01065806 |
| 6 | 5s | 42.947119 | .00068751 |
| 7 | 4s | 99.033862 | -.00003245 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572713 | < 1/R**2 > | 622.200430 |
Total Energy= -493.11924089 a.u.
Kinetic Energy= 493.11055107 a.u.
Potential Energy= -986.22979197 a.u.
Virial Ratio = -2.00001762