(1s 2 2s 2 2p 2 5p 1 ) 2 S S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 4.750723 | .33878632 |
| 2 | 3p | 2.433632 | -3.20173624 |
| 3 | 4p | 2.171998 | 7.73559721 |
| 4 | 5p | 2.114898 | -5.42266540 |
| 5 | 2p | 9.552939 | .04385975 |
| 6 | 5p | 29.931017 | -.00066003 |
| 7 | 4p | 44.008633 | -.00016085 |
| 8 | 5p | 1.761866 | -.06447049 |
| ORB.ENERGY,a.u. | -2.175100 | ||
| NORM | 1.000002 | < R > | 3.361268 | < R2 > | 12.703258 | < 1/R > | .429877 | < 1/R**2 > | .653076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.286033 | 1.13551378 |
| 2 | 3p | 7.344462 | -.15867046 |
| 3 | 2p | 15.122473 | .02222154 |
| 4 | 4p | 17.309821 | .00613067 |
| 5 | 5p | 27.791897 | -.00049201 |
| 6 | 5p | 1.346993 | .00008960 |
| 7 | 4p | 6.387980 | -.00319178 |
| 8 | 3p | 45.083856 | .00004947 |
| ORB.ENERGY,a.u. | -18.161000 | ||
| NORM | 1.000000 | < R > | .378247 | < R2 > | .173623 | < 1/R > | 3.351855 | < 1/R**2 > | 15.256033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.625225 | .42188031 |
| 2 | 2s | 6.969643 | -.86290675 |
| 3 | 3s | 7.115699 | -.28390073 |
| 4 | 4s | 26.895415 | .00205391 |
| 5 | 3s | 14.897103 | .01723909 |
| 6 | 5s | 7.163841 | -.02223980 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433319 | < R2 > | .220042 | < 1/R > | 3.384092 | < 1/R**2 > | 46.470996 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111751 | .92673050 |
| 2 | 1s | 23.114076 | .07200701 |
| 3 | 2s | 14.108937 | .01948741 |
| 4 | 3s | 17.756388 | -.01558683 |
| 5 | 5s | 37.632565 | .00090256 |
| 6 | 4s | 89.405570 | -.00003639 |
| 7 | 5s | 11.936633 | .00035179 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096564 | < R2 > | .012499 | < 1/R > | 15.626146 | < 1/R**2 > | 491.710012 |
Total Energy= -337.08069382 a.u.
Kinetic Energy= 337.10241592 a.u.
Potential Energy= -674.18310974 a.u.
Virial Ratio = -1.99993556