(1s 2 2s 2 2p 3 3s 1 ) 5 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 3s- electron | |
| 1 | 1s | 12.817771 | .18502412 |
| 2 | 2s | 4.917701 | -.87884873 |
| 3 | 3s | 3.484646 | 1.42105098 |
| 4 | 4s | 11.669401 | -.03043433 |
| 5 | 5s | 19.786154 | -.00303631 |
| 6 | 3s | 107.106410 | .00000755 |
| 7 | 5s | 2.931310 | -.00073454 |
| ORB.ENERGY,a.u. | -5.916500 | ||
| NORM | 1.000000 | < R > | 1.154796 | < R2 > | 1.515696 | < 1/R > | 1.248231 | < 1/R**2 > | 9.562921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.241349 | 1.30224091 |
| 2 | 3p | 8.015552 | -.37369431 |
| 3 | 4p | 9.914093 | .07092143 |
| 4 | 5p | 5.741365 | .00811942 |
| 5 | 4p | 25.087549 | -.00209498 |
| 6 | 3p | 30.470642 | -.00045832 |
| 7 | 4p | 6.892658 | -.00625751 |
| ORB.ENERGY,a.u. | -15.500000 | ||
| NORM | 1.000000 | < R > | .391132 | < R2 > | .186514 | < 1/R > | 3.257464 | < 1/R**2 > | 14.485981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.447197 | .41854184 |
| 2 | 4s | 3.139356 | -.00239860 |
| 3 | 2s | 6.978278 | -.87951924 |
| 4 | 3s | 6.393231 | -.29829545 |
| 5 | 4s | 26.359490 | .00276859 |
| 6 | 3s | 13.371272 | .02587723 |
| 7 | 5s | 4.813427 | -.01207482 |
| 8 | 3s | 30.311620 | .00024966 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .446659 | < R2 > | .235254 | < 1/R > | 3.284603 | < 1/R**2 > | 44.021206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.179353 | .93514264 |
| 2 | 1s | 23.416849 | .06246506 |
| 3 | 2s | 13.251943 | .01901339 |
| 4 | 3s | 18.544315 | -.01465008 |
| 5 | 4s | 27.885153 | .00244885 |
| 6 | 5s | 48.103582 | .00025042 |
| 7 | 5s | 9.896048 | .00015446 |
| 8 | 4s | 3.935024 | .00071649 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096725 | < R2 > | .012550 | < 1/R > | 15.609366 | < 1/R**2 > | 490.883926 |
Total Energy= -357.25292449 a.u.
Kinetic Energy= 357.30505753 a.u.
Potential Energy= -714.55798202 a.u.
Virial Ratio = -1.99985409