(1s 2 2s 1 4d 1 ) 1 D Ar 14+
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 | 3.873161 | 1.89837963 |
| 2 | 4d | 3.752247 | -2.40674526 |
| 3 | 3d | 11.190607 | .00824692 |
| 4 | 4d | 12.151368 | -.00248606 |
| 5 | 5d | 34.156891 | -.00026833 |
| 6 | 5d | 3.367634 | -.00286557 |
| 7 | 4d | 60.133546 | -.00002428 |
| ORB.ENERGY,a.u. | -7.046400 | ||
| NORM | .999999 | < R > | 1.395162 | < R2 > | 2.227469 | < 1/R > | .944752 | < 1/R**2 > | 1.438948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.645844 | .43796377 |
| 2 | 2s | 7.880270 | -.81805351 |
| 3 | 3s | 9.511025 | -.30408784 |
| 4 | 5s | 16.477609 | -.01925996 |
| 5 | 4s | 32.347841 | .00393347 |
| 6 | 5s | 42.913379 | -.00078948 |
| 7 | 5s | 4.606371 | -.00010342 |
| 8 | 3s | 66.017355 | .00004099 |
| ORB.ENERGY,a.u. | -32.785000 | ||
| NORM | 1.000000 | < R > | .358893 | < R2 > | .150259 | < 1/R > | 4.123066 | < 1/R**2 > | 68.466269 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.363120 | .93823911 |
| 2 | 1s | 27.335624 | .04912190 |
| 3 | 2s | 21.984238 | .01685542 |
| 4 | 3s | 11.862162 | .00108241 |
| 5 | 4s | 73.030559 | -.00038910 |
| 6 | 5s | 97.941346 | .00014239 |
| 7 | 5s | 8.173915 | .00005738 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085206 | < R2 > | .009711 | < 1/R > | 17.674055 | < 1/R**2 > | 627.851999 |
Total Energy= -353.68419834 a.u.
Kinetic Energy= 353.48877081 a.u.
Potential Energy= -707.17296915 a.u.
Virial Ratio = -2.00055285