(1s 2 2s 2 2p 1 3d 1 ) 1 F Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 4.015181 | .98252623 |
| 2 | 3d | 9.634239 | .01636634 |
| 3 | 4d | 6.581331 | .00937867 |
| 4 | 5d | 28.284321 | -.00014471 |
| ORB.ENERGY,a.u. | -8.046200 | ||
| NORM | 1.000000 | < R > | .863437 | < R2 > | .854612 | < 1/R > | 1.357775 | < 1/R**2 > | 2.229787 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.162738 | 1.08628886 |
| 2 | 3p | 8.564447 | -.09634323 |
| 3 | 2p | 18.142311 | .01050715 |
| 4 | 5p | 22.272200 | .00190354 |
| 5 | 4p | 4.735263 | -.00183267 |
| 6 | 2p | 87.687292 | -.00000167 |
| ORB.ENERGY,a.u. | -22.539000 | ||
| NORM | 1.000000 | < R > | .340368 | < R2 > | .139913 | < 1/R > | 3.704466 | < 1/R**2 > | 18.517014 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.585783 | .38322981 |
| 2 | 2s | 6.551104 | -.81247287 |
| 3 | 3s | 9.457474 | -.28400583 |
| 4 | 4s | 31.880639 | .00116116 |
| 5 | 5s | 18.259808 | -.00924497 |
| 6 | 5s | 7.241720 | .01319679 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397456 | < R2 > | .184885 | < 1/R > | 3.700032 | < 1/R**2 > | 55.357870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.200947 | .93691065 |
| 2 | 1s | 24.957243 | .05988301 |
| 3 | 2s | 15.148264 | .02010743 |
| 4 | 3s | 18.508903 | -.01449653 |
| 5 | 4s | 86.269825 | -.00005250 |
| 6 | 5s | 39.055577 | .00076500 |
| 7 | 4s | 9.084789 | .00008694 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090552 | < R2 > | .010979 | < 1/R > | 16.646437 | < 1/R**2 > | 557.485534 |
Total Energy= -367.66460683 a.u.
Kinetic Energy= 367.46728155 a.u.
Potential Energy= -735.13188838 a.u.
Virial Ratio = -2.00053699