(1s 2 2s 2 2p 6 ) 1 S Ar 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 6.243049 | 1.17446556 |
| 2 | 3p | 7.562657 | -.23992724 |
| 3 | 2p | 13.817717 | .06463787 |
| 4 | 4p | 16.848547 | .00947919 |
| 5 | 5p | 6.063210 | .00717716 |
| 6 | 4p | 5.253499 | -.00120102 |
| 7 | 4p | 73.109376 | .00001805 |
| ORB.ENERGY,a.u. | -15.500000 | ||
| NORM | 1.000000 | < R > | .370169 | < R2 > | .168848 | < 1/R > | 3.485984 | < 1/R**2 > | 16.824504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.406700 | .38962891 |
| 2 | 2s | 7.592388 | -.83523689 |
| 3 | 3s | 6.710021 | -.31826386 |
| 4 | 4s | 30.362705 | .00157838 |
| 5 | 3s | 17.590665 | .00865777 |
| 6 | 5s | 5.702544 | -.00742673 |
| 7 | 4s | 5.322659 | .01057164 |
| ORB.ENERGY,a.u. | -18.309000 | ||
| NORM | 1.000000 | < R > | .408477 | < R2 > | .196971 | < 1/R > | 3.585214 | < 1/R**2 > | 52.763042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.189945 | .93193433 |
| 2 | 1s | 25.694740 | .06176143 |
| 3 | 2s | 13.457405 | .02114594 |
| 4 | 3s | 16.757649 | -.01664536 |
| 5 | 4s | 18.520992 | .00827360 |
| 6 | 5s | 43.022462 | .00054436 |
| 7 | 4s | 9.683894 | .00057583 |
| 8 | 3s | 61.453874 | -.00010097 |
| ORB.ENERGY,a.u. | -124.690000 |
| NORM | 1.000000 | < R > | .086058 | < R2 > | .009947 | < 1/R > | 17.559517 | < 1/R**2 > | 621.479466 |
Total Energy= -505.96809153 a.u.
Kinetic Energy= 505.96807798 a.u.
Potential Energy= -1011.93616951 a.u.
Virial Ratio = -2.00000003