(1s 2 2s 2 2p 1 4d 1 ) 1 D Ar 12+
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 | 3.858249 | 1.23477949 |
| 2 | 4d | 3.248638 | -1.74202221 |
| 3 | 3d | 7.672778 | .04205448 |
| 4 | 4d | 42.698578 | .00004327 |
| 5 | 5d | 2.518643 | .01889971 |
| 6 | 3d | 1.953697 | -.02091432 |
| 7 | 5d | 10.547973 | -.00521678 |
| 8 | 3d | 75.322956 | .00000204 |
| ORB.ENERGY,a.u. | -5.439900 | ||
| NORM | 1.000000 | < R > | 1.562772 | < R2 > | 2.794739 | < 1/R > | .846523 | < 1/R**2 > | 1.173458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.624502 | 1.08194722 |
| 2 | 3p | 9.236351 | -.09365441 |
| 3 | 2p | 18.387480 | .01152409 |
| 4 | 5p | 22.665060 | .00192239 |
| 5 | 4p | 36.766102 | -.00015582 |
| 6 | 5p | 4.760808 | -.00230624 |
| 7 | 4p | 4.504871 | .00245442 |
| ORB.ENERGY,a.u. | -26.932000 | ||
| NORM | 1.000000 | < R > | .320665 | < R2 > | .124271 | < 1/R > | 3.934373 | < 1/R**2 > | 20.895342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.375656 | .39013979 |
| 2 | 2s | 7.026813 | -.81668073 |
| 3 | 3s | 10.032906 | -.28717543 |
| 4 | 4s | 33.265509 | .00115626 |
| 5 | 5s | 19.627365 | -.00824748 |
| 6 | 5s | 7.746656 | .01676435 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371796 | < R2 > | .161639 | < 1/R > | 3.959394 | < 1/R**2 > | 63.333478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.206977 | .93972927 |
| 2 | 1s | 26.426881 | .05678917 |
| 3 | 2s | 15.849084 | .01999048 |
| 4 | 3s | 19.369966 | -.01407359 |
| 5 | 4s | 86.558068 | -.00006213 |
| 6 | 5s | 41.290788 | .00061232 |
| 7 | 4s | 8.421366 | .00004188 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646042 | < 1/R**2 > | 626.242412 |
Total Energy= -410.61526883 a.u.
Kinetic Energy= 410.64989904 a.u.
Potential Energy= -821.26516787 a.u.
Virial Ratio = -1.99991567