(1s 2 2s 2 2p 5 5d 1 ) 3 F Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 2.505054 | 1.14146612 |
| 2 | 4d | 1.895047 | -4.31727944 |
| 3 | 5d | 1.823137 | 3.90219355 |
| 4 | 3d | 5.577087 | .07504975 |
| 5 | 5d | 8.338100 | -.01725119 |
| 6 | 4d | 16.436736 | .00117546 |
| 7 | 5d | 1.543961 | -.03256083 |
| 8 | 3d | 23.259779 | .00019851 |
| ORB.ENERGY,a.u. | -1.681400 | ||
| NORM | 1.000004 | < R > | 3.675599 | < R2 > | 15.358588 | < 1/R > | .383306 | < 1/R**2 > | .316490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.397764 | 1.16996279 |
| 2 | 3p | 7.560081 | -.23181762 |
| 3 | 2p | 13.920800 | .06196978 |
| 4 | 4p | 16.951935 | .00827569 |
| 5 | 5p | 5.370957 | .00041186 |
| 6 | 5p | 41.919237 | -.00014129 |
| ORB.ENERGY,a.u. | -17.180000 | ||
| NORM | 1.000000 | < R > | .358950 | < R2 > | .158029 | < 1/R > | 3.575746 | < 1/R**2 > | 17.598844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.352792 | .39967182 |
| 2 | 2s | 7.677771 | -.84617451 |
| 3 | 3s | 7.008388 | -.30610502 |
| 4 | 4s | 19.478886 | .00517643 |
| 5 | 3s | 22.016662 | .00673965 |
| 6 | 5s | 37.887080 | .00042152 |
| 7 | 5s | 5.555738 | -.00249063 |
| 8 | 4s | 3.561361 | .00238555 |
| 9 | 3s | 2.765363 | -.00163817 |
| 10 | 2s | 70.114143 | .00002282 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400737 | < R2 > | .189141 | < 1/R > | 3.657086 | < 1/R**2 > | 54.733341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052675 |
| 2 | 1s | 25.173424 | .06482935 |
| 3 | 2s | 10.852543 | .02185975 |
| 4 | 3s | 13.389607 | -.02197324 |
| 5 | 4s | 16.616928 | .01065851 |
| 6 | 5s | 42.876881 | .00068703 |
| 7 | 4s | 99.236680 | -.00003325 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572647 | < 1/R**2 > | 622.196616 |
Total Energy= -492.15680205 a.u.
Kinetic Energy= 492.16082009 a.u.
Potential Energy= -984.31762214 a.u.
Virial Ratio = -1.99999184