(1s 2 2s 2 2p 2 ) 3 P Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 7.474820 | 1.09343013 |
| 2 | 3p | 9.308519 | -.10782796 |
| 3 | 2p | 18.255559 | .01238142 |
| 4 | 5p | 23.231939 | .00214858 |
| 5 | 5p | 7.611897 | .00469850 |
| ORB.ENERGY,a.u. | -25.221000 | ||
| NORM | 1.000000 | < R > | .328088 | < R2 > | .130412 | < 1/R > | 3.856478 | < 1/R**2 > | 20.144133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.090397 | .39395380 |
| 2 | 2s | 7.205232 | -.83552625 |
| 3 | 3s | 9.023214 | -.28957065 |
| 4 | 4s | 33.479226 | .00095348 |
| 5 | 5s | 19.957929 | -.00715344 |
| 6 | 5s | 11.195888 | .02702388 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .378268 | < R2 > | .167542 | < 1/R > | 3.886782 | < 1/R**2 > | 61.227493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.152510 | .94677611 |
| 2 | 1s | 27.092860 | .05282272 |
| 3 | 2s | 15.120083 | .02097971 |
| 4 | 3s | 23.267817 | -.01158279 |
| 5 | 4s | 20.408630 | -.00731235 |
| 6 | 5s | 43.765917 | .00069668 |
| 7 | 5s | 10.747158 | .00009450 |
| 8 | 3s | 68.476060 | -.00006628 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009807 | < 1/R > | 17.624169 | < 1/R**2 > | 625.030062 |
Total Energy= -430.39769387 a.u.
Kinetic Energy= 430.39770697 a.u.
Potential Energy= -860.79540084 a.u.
Virial Ratio = -1.99999997