(1s 2 2s 2 2p 4 3d 1 ) 2 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 3.403168 | 1.05383727 |
| 2 | 3d | 9.427279 | .01766925 |
| 3 | 4d | 4.135447 | -.06192585 |
| 4 | 5d | 27.701672 | -.00008967 |
| ORB.ENERGY,a.u. | -5.669200 | ||
| NORM | 1.000000 | < R > | 1.017033 | < R2 > | 1.188435 | < 1/R > | 1.157097 | < 1/R**2 > | 1.630068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.512492 | 1.12394636 |
| 2 | 3p | 7.284292 | -.20209577 |
| 3 | 2p | 13.707539 | .07242914 |
| 4 | 4p | 16.066918 | .01451971 |
| 5 | 5p | 18.223975 | -.00148022 |
| 6 | 5p | 5.347397 | -.00109590 |
| 7 | 4p | 72.320592 | .00002239 |
| ORB.ENERGY,a.u. | -18.330000 | ||
| NORM | 1.000000 | < R > | .347881 | < R2 > | .147762 | < 1/R > | 3.670158 | < 1/R**2 > | 18.432391 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.168727 | .41496214 |
| 2 | 2s | 7.815658 | -.86012033 |
| 3 | 3s | 7.350734 | -.30101043 |
| 4 | 4s | 12.998984 | .00395881 |
| 5 | 3s | 17.391300 | .01466321 |
| 6 | 5s | 39.347426 | .00065250 |
| 7 | 5s | 7.155793 | -.01082820 |
| 8 | 3s | 69.685469 | -.00002112 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393973 | < R2 > | .182540 | < 1/R > | 3.723975 | < 1/R**2 > | 56.600106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132489 | .91985403 |
| 2 | 1s | 24.600569 | .07653497 |
| 3 | 2s | 11.202451 | .02021754 |
| 4 | 3s | 13.631066 | -.02041626 |
| 5 | 4s | 16.406915 | .00883458 |
| 6 | 5s | 44.057089 | .00072945 |
| 7 | 4s | 106.256571 | -.00002410 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085840 | < R2 > | .009885 | < 1/R > | 17.587564 | < 1/R**2 > | 623.014406 |
Total Energy= -478.72474973 a.u.
Kinetic Energy= 478.58426101 a.u.
Potential Energy= -957.30901074 a.u.
Virial Ratio = -2.00029355