(1s 2 2s 2 2p 1 3d 1 ) 3 P Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 4.346288 | .91980408 |
| 2 | 3d | 8.499751 | .05343847 |
| 3 | 4d | 6.467281 | .05446818 |
| 4 | 5d | 27.390342 | -.00028406 |
| 5 | 5d | 4.505716 | -.01299872 |
| ORB.ENERGY,a.u. | -9.625800 | ||
| NORM | 1.000000 | < R > | .774794 | < R2 > | .690198 | < 1/R > | 1.518330 | < 1/R**2 > | 2.798323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.606817 | 1.08390088 |
| 2 | 3p | 9.092020 | -.09945395 |
| 3 | 2p | 18.560040 | .01154919 |
| 4 | 5p | 22.996904 | .00243745 |
| 5 | 5p | 7.685915 | .00602392 |
| ORB.ENERGY,a.u. | -26.217000 | ||
| NORM | 1.000000 | < R > | .321672 | < R2 > | .125240 | < 1/R > | 3.926828 | < 1/R**2 > | 20.834443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.405661 | .38797975 |
| 2 | 2s | 6.994580 | -.81475109 |
| 3 | 3s | 10.076718 | -.28573606 |
| 4 | 4s | 33.551935 | .00105813 |
| 5 | 5s | 19.595804 | -.00865639 |
| 6 | 5s | 7.759520 | .01397932 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372843 | < R2 > | .162662 | < 1/R > | 3.948699 | < 1/R**2 > | 63.023702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.205205 | .93952312 |
| 2 | 1s | 26.419557 | .05699952 |
| 3 | 2s | 15.863169 | .02004309 |
| 4 | 3s | 19.378660 | -.01413367 |
| 5 | 4s | 86.337031 | -.00006200 |
| 6 | 5s | 41.395424 | .00061021 |
| 7 | 5s | 10.395923 | .00005383 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.646086 | < 1/R**2 > | 626.245827 |
Total Energy= -414.88498082 a.u.
Kinetic Energy= 414.83551612 a.u.
Potential Energy= -829.72049694 a.u.
Virial Ratio = -2.00011924