(1s 2 2s 2 2p 5 4d 1 ) 1 D Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 2.640165 | 1.24436368 |
| 2 | 4d | 2.276595 | -1.78376216 |
| 3 | 3d | 7.842654 | .03842592 |
| 4 | 5d | 9.006440 | -.00309333 |
| 5 | 4d | 5.873915 | .03887560 |
| 6 | 4d | 49.154295 | .00001101 |
| ORB.ENERGY,a.u. | -2.624600 | ||
| NORM | 1.000001 | < R > | 2.226664 | < R2 > | 5.696184 | < 1/R > | .603560 | < 1/R**2 > | .616945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.376848 | 1.17376097 |
| 2 | 3p | 7.511559 | -.23699746 |
| 3 | 2p | 13.995136 | .06189698 |
| 4 | 4p | 17.023636 | .00952195 |
| 5 | 4p | 3.890484 | .00076020 |
| 6 | 5p | 3.377858 | -.00044412 |
| 7 | 4p | 71.018195 | .00002136 |
| ORB.ENERGY,a.u. | -16.920000 | ||
| NORM | 1.000000 | < R > | .359157 | < R2 > | .158245 | < 1/R > | 3.574380 | < 1/R**2 > | 17.588176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.334039 | .40028073 |
| 2 | 2s | 7.681780 | -.84645511 |
| 3 | 3s | 7.004195 | -.30617859 |
| 4 | 4s | 19.102677 | .00461560 |
| 5 | 3s | 21.126910 | .00699276 |
| 6 | 5s | 38.543229 | .00053884 |
| 7 | 5s | 6.051652 | -.00359993 |
| 8 | 4s | 4.340110 | .00159831 |
| 9 | 3s | 3.380549 | -.00042919 |
| 10 | 2s | 96.515720 | .00000627 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400931 | < R2 > | .189349 | < 1/R > | 3.655442 | < 1/R**2 > | 54.688727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190903 | .93052880 |
| 2 | 1s | 25.174346 | .06482712 |
| 3 | 2s | 10.854517 | .02185558 |
| 4 | 3s | 13.391171 | -.02197072 |
| 5 | 4s | 16.616890 | .01065806 |
| 6 | 5s | 42.950477 | .00068753 |
| 7 | 4s | 99.023743 | -.00003243 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085955 | < R2 > | .009918 | < 1/R > | 17.572717 | < 1/R**2 > | 622.200669 |
Total Energy= -493.11925226 a.u.
Kinetic Energy= 493.10397807 a.u.
Potential Energy= -986.22323034 a.u.
Virial Ratio = -2.00003098