(1s 2 2s 2 2p 4 ) 1 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 6.574331 | 1.31382180 |
| 2 | 3p | 8.580548 | -.37943219 |
| 3 | 4p | 10.573817 | .05718198 |
| 4 | 5p | 6.396993 | .01206716 |
| 5 | 4p | 28.148796 | -.00151209 |
| 6 | 3p | 34.450740 | -.00029295 |
| ORB.ENERGY,a.u. | -16.406000 | ||
| NORM | 1.000000 | < R > | .374825 | < R2 > | .171846 | < 1/R > | 3.413795 | < 1/R**2 > | 15.988562 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.354493 | .41199058 |
| 2 | 2s | 7.280780 | -.89629859 |
| 3 | 3s | 6.648886 | -.27850195 |
| 4 | 4s | 43.531912 | -.00023135 |
| 5 | 3s | 17.683271 | .01969821 |
| 6 | 5s | 16.353252 | .00879207 |
| 7 | 2s | 72.592544 | .00002901 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .420432 | < R2 > | .207876 | < 1/R > | 3.484537 | < 1/R**2 > | 49.569971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.167564 | .94281458 |
| 2 | 1s | 25.359683 | .05533348 |
| 3 | 2s | 14.026185 | .01875698 |
| 4 | 3s | 20.467920 | -.01474472 |
| 5 | 4s | 30.873195 | .00234307 |
| 6 | 5s | 53.249171 | .00013698 |
| 7 | 5s | 11.975455 | .00063645 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .091027 | < R2 > | .011119 | < 1/R > | 16.590607 | < 1/R**2 > | 554.580195 |
Total Energy= -417.33742549 a.u.
Kinetic Energy= 417.06166112 a.u.
Potential Energy= -834.39908661 a.u.
Virial Ratio = -2.00066121