(1s 2 2s 2 2p 6 3s 2 3p 5 4d 1 ) 1 D Ar 0
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 | 1.082888 | .47270558 |
| 2 | 4d | .249712 | -1.65897369 |
| 3 | 3d | .304205 | 1.16356227 |
| 4 | 4d | 1.764082 | -.18615400 |
| 5 | 5d | 1.398741 | -.22928185 |
| 6 | 3d | 4.475025 | .00601983 |
| 7 | 4d | 13.026684 | .00042586 |
| 8 | 5d | 45.686556 | .00001853 |
| ORB.ENERGY,a.u. | -.032177 | ||
| NORM | .999998 | < R > | 19.904028 | < R2 > | 460.360698 | < 1/R > | .072109 | < 1/R**2 > | .011299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.239608 | .30090285 |
| 2 | 2p | 1.653115 | -.94566872 |
| 3 | 3p | 3.176781 | -.17062181 |
| 4 | 2p | 7.902152 | .18047660 |
| 5 | 3p | 9.630001 | -.06397748 |
| 6 | 4p | 25.584502 | -.00092643 |
| 7 | 4p | 1.376597 | -.04171027 |
| 8 | 5p | 51.225668 | -.00002996 |
| 9 | 3p | 1.203453 | .03810348 |
| 10 | 3p | 34.349444 | -.00016773 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559388 | < R2 > | 2.864910 | < 1/R > | .863021 | < 1/R**2 > | 1.651480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286560 | .81266554 |
| 2 | 1s | 10.257547 | .17093307 |
| 3 | 2s | 5.407834 | -.67762985 |
| 4 | 3s | 2.827874 | .45073731 |
| 5 | 4s | 5.543930 | .05909188 |
| 6 | 2s | 10.383856 | -.15250354 |
| 7 | 2s | 16.737397 | -.00918462 |
| 8 | 5s | 1.818886 | -.05007691 |
| 9 | 4s | 31.168389 | .00061888 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381796 | < R2 > | 2.203618 | < 1/R > | .988553 | < 1/R**2 > | 5.723295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929701 | .47309693 |
| 2 | 3p | 8.056844 | .47295094 |
| 3 | 4p | 6.733025 | .14364496 |
| 4 | 5p | 5.297751 | .01114986 |
| 5 | 2p | 20.933284 | .00547031 |
| 6 | 5p | 15.948739 | -.00567597 |
| 7 | 3p | 44.043834 | .00005586 |
| 8 | 3p | 2.024488 | .00182827 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375606 | < R2 > | .174715 | < 1/R > | 3.448739 | < 1/R**2 > | 16.516988 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343372 | .38923366 |
| 2 | 2s | 7.634506 | -.82053574 |
| 3 | 3s | 6.808346 | -.29465516 |
| 4 | 4s | 30.783738 | .00337492 |
| 5 | 3s | 14.440255 | .01383728 |
| 6 | 2s | 4.008055 | -.04578832 |
| 7 | 5s | 2.985441 | -.00537223 |
| 8 | 5s | 41.232248 | -.00056235 |
| 9 | 2s | 104.987893 | -.00000287 |
| 10 | 4s | 2.699877 | .00611292 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412084 | < R2 > | .201005 | < 1/R > | 3.556890 | < 1/R**2 > | 52.021450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580400 | 1.00987077 |
| 2 | 2s | 22.430725 | -.01729947 |
| 3 | 3s | 14.908106 | .01755758 |
| 4 | 4s | 51.032071 | -.00050579 |
| 5 | 4s | 12.557854 | .00288650 |
| 6 | 5s | 60.231119 | .00012312 |
| 7 | 5s | 15.991817 | -.00410155 |
| 8 | 2s | 34.415013 | -.00228273 |
| 9 | 2s | 84.922900 | .00004487 |
| 10 | 5s | 3.962694 | -.00003463 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553539 | < 1/R**2 > | 621.142301 |
Total Energy= -526.30798869 a.u.
Kinetic Energy= 526.30672548 a.u.
Potential Energy= -1052.61471417 a.u.
Virial Ratio = -2.00000240