(1s 2 2s 2 2p 5 4s 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 14.337820 | .08863152 |
| 2 | 2s | 3.170797 | -1.24092544 |
| 3 | 3s | 3.120634 | 2.63450307 |
| 4 | 4s | 2.275915 | -1.78712253 |
| 5 | 5s | 4.511906 | -.23274743 |
| 6 | 4s | 13.607745 | -.02732129 |
| 7 | 5s | 25.686989 | -.00279047 |
| 8 | 4s | 33.501396 | -.00044818 |
| 9 | 5s | 1.628039 | .00235901 |
| 10 | 3s | 27.147286 | -.00106573 |
| ORB.ENERGY,a.u. | -2.587600 | ||
| NORM | 1.000000 | < R > | 2.337511 | < R2 > | 6.137338 | < 1/R > | .606678 | < 1/R**2 > | 2.959348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.872862 | 1.18790851 |
| 2 | 3p | 6.916587 | -.25522951 |
| 3 | 2p | 13.118392 | .06552464 |
| 4 | 4p | 15.876686 | .01053248 |
| 5 | 5p | 3.149440 | -.00031490 |
| 6 | 4p | 4.027098 | .00087323 |
| 7 | 4p | 68.149353 | .00002041 |
| ORB.ENERGY,a.u. | -14.153000 | ||
| NORM | 1.000000 | < R > | .387301 | < R2 > | .184354 | < 1/R > | 3.321810 | < 1/R**2 > | 15.228726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.942960 | .34039437 |
| 2 | 2s | 6.033611 | -.78343214 |
| 3 | 3s | 9.733323 | -.22917905 |
| 4 | 4s | 7.711828 | -.06342896 |
| 5 | 5s | 20.646866 | -.00683147 |
| 6 | 5s | 2.766880 | .00647399 |
| 7 | 4s | 2.639454 | -.00585484 |
| 8 | 3s | 46.725889 | -.00007959 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429601 | < R2 > | .217613 | < 1/R > | 3.407491 | < 1/R**2 > | 47.566835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184358 | .92656386 |
| 2 | 1s | 23.647838 | .06936499 |
| 3 | 2s | 9.620489 | .02210231 |
| 4 | 3s | 11.947841 | -.02295285 |
| 5 | 4s | 15.146593 | .01095480 |
| 6 | 5s | 40.510729 | .00074107 |
| 7 | 4s | 95.025231 | -.00003298 |
| 8 | 5s | 1.778013 | -.00008714 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576226 | < 1/R**2 > | 553.836099 |
Total Energy= -434.58293012 a.u.
Kinetic Energy= 434.58754310 a.u.
Potential Energy= -869.17047322 a.u.
Virial Ratio = -1.99998939