(1s 2 2s 2 2p 5 4d 1 ) 1 P Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d | 5.872739 | .01176556 |
| 2 | 3d | 2.469059 | 1.55571552 |
| 3 | 4d | 2.251054 | -2.05856870 |
| 4 | 3d | 9.138432 | .01330925 |
| 5 | 5d | 25.634188 | -.00007590 |
| ORB.ENERGY,a.u. | -2.559600 | ||
| NORM | .999999 | < R > | 2.296855 | < R2 > | 6.048311 | < 1/R > | .578357 | < 1/R**2 > | .549600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.378385 | 1.17570520 |
| 2 | 3p | 7.493188 | -.23826814 |
| 3 | 2p | 13.934821 | .06238473 |
| 4 | 4p | 17.172829 | .00814436 |
| 5 | 5p | 3.254011 | .00053966 |
| 6 | 5p | 39.991761 | -.00016259 |
| ORB.ENERGY,a.u. | -16.855000 | ||
| NORM | 1.000000 | < R > | .358815 | < R2 > | .157918 | < 1/R > | 3.576986 | < 1/R**2 > | 17.609779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.334490 | .40029453 |
| 2 | 2s | 7.681938 | -.84641338 |
| 3 | 3s | 7.008329 | -.30616531 |
| 4 | 4s | 19.017650 | .00464354 |
| 5 | 3s | 21.095704 | .00705484 |
| 6 | 5s | 38.499399 | .00054054 |
| 7 | 5s | 6.062046 | -.00372741 |
| 8 | 4s | 4.335343 | .00156286 |
| 9 | 3s | 3.360809 | -.00040043 |
| 10 | 2s | 95.914748 | .00000642 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .400901 | < R2 > | .189318 | < 1/R > | 3.655727 | < 1/R**2 > | 54.697062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.190693 | .93053272 |
| 2 | 1s | 25.175882 | .06482423 |
| 3 | 2s | 10.853476 | .02185842 |
| 4 | 3s | 13.391079 | -.02197115 |
| 5 | 4s | 16.616991 | .01065870 |
| 6 | 5s | 42.917439 | .00068668 |
| 7 | 4s | 99.137171 | -.00003220 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .085956 | < R2 > | .009918 | < 1/R > | 17.572572 | < 1/R**2 > | 622.192525 |
Total Energy= -493.11104281 a.u.
Kinetic Energy= 493.03883825 a.u.
Potential Energy= -986.14988107 a.u.
Virial Ratio = -2.00014645