(1s 2 2s 2 2p 5 4d 1 ) 1 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 4d- electron | |
| 1 | 3d | 2.196614 | 1.55442020 |
| 2 | 4d | 1.999647 | -2.05484704 |
| 3 | 3d | 8.478070 | .01229869 |
| 4 | 4d | 5.386019 | .01047151 |
| 5 | 5d | 22.772460 | -.00008754 |
| ORB.ENERGY,a.u. | -2.021200 | ||
| NORM | 1.000000 | < R > | 2.586278 | < R2 > | 7.667333 | < 1/R > | .513395 | < 1/R**2 > | .432884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.877646 | 1.18933906 |
| 2 | 3p | 6.919504 | -.25601033 |
| 3 | 2p | 13.048265 | .06619055 |
| 4 | 4p | 15.923480 | .00928354 |
| 5 | 5p | 38.203111 | -.00015536 |
| 6 | 5p | 2.964331 | .00054885 |
| ORB.ENERGY,a.u. | -14.033000 | ||
| NORM | 1.000000 | < R > | .386895 | < R2 > | .183946 | < 1/R > | 3.324775 | < 1/R**2 > | 15.253323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.606752 | .39170033 |
| 2 | 2s | 7.170684 | -.84273233 |
| 3 | 3s | 6.479955 | -.30521080 |
| 4 | 4s | 18.405808 | .00508448 |
| 5 | 3s | 20.417185 | .00681671 |
| 6 | 5s | 36.024659 | .00056599 |
| 7 | 5s | 5.656666 | -.00379514 |
| 8 | 4s | 4.205651 | .00149140 |
| 9 | 3s | 3.574584 | -.00028785 |
| 10 | 2s | 88.754734 | .00000740 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429620 | < R2 > | .217629 | < 1/R > | 3.407186 | < 1/R**2 > | 47.556760 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183827 | .92696151 |
| 2 | 1s | 23.721228 | .06885069 |
| 3 | 2s | 10.143507 | .02130245 |
| 4 | 3s | 12.569738 | -.02159310 |
| 5 | 4s | 15.577516 | .01061136 |
| 6 | 5s | 40.702314 | .00070422 |
| 7 | 4s | 92.513740 | -.00003439 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576320 | < 1/R**2 > | 553.843011 |
Total Energy= -434.08546620 a.u.
Kinetic Energy= 434.02669733 a.u.
Potential Energy= -868.11216353 a.u.
Virial Ratio = -2.00013540