(1s 2 2s 2 2p 1 3d 1 ) 3 F Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 4.423899 | .88003537 |
| 2 | 3d | 8.131460 | .07185635 |
| 3 | 4d | 6.219357 | .06737840 |
| 4 | 5d | 28.644361 | -.00026409 |
| 5 | 5d | 3.587880 | -.00045046 |
| ORB.ENERGY,a.u. | -9.773500 | ||
| NORM | 1.000000 | < R > | .761050 | < R2 > | .666726 | < 1/R > | 1.547748 | < 1/R**2 > | 2.911456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.579224 | 1.08814953 |
| 2 | 3p | 9.118990 | -.10464409 |
| 3 | 2p | 18.563741 | .01142209 |
| 4 | 5p | 23.077976 | .00238545 |
| 5 | 5p | 7.494904 | .00793091 |
| 6 | 4p | 4.646223 | .00060095 |
| ORB.ENERGY,a.u. | -26.364000 | ||
| NORM | 1.000000 | < R > | .323317 | < R2 > | .126663 | < 1/R > | 3.910846 | < 1/R**2 > | 20.685143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.407675 | .38784340 |
| 2 | 2s | 6.992472 | -.81463161 |
| 3 | 3s | 10.079421 | -.28564486 |
| 4 | 4s | 33.572733 | .00104634 |
| 5 | 5s | 19.614321 | -.00869340 |
| 6 | 5s | 7.744476 | .01385708 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372896 | < R2 > | .162712 | < 1/R > | 3.948104 | < 1/R**2 > | 63.005442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.205571 | .93953165 |
| 2 | 1s | 26.415637 | .05699778 |
| 3 | 2s | 15.852272 | .02003511 |
| 4 | 3s | 19.364871 | -.01413709 |
| 5 | 4s | 86.326929 | -.00006197 |
| 6 | 5s | 41.409286 | .00060994 |
| 7 | 5s | 10.393841 | .00005501 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085398 | < R2 > | .009762 | < 1/R > | 17.646284 | < 1/R**2 > | 626.257164 |
Total Energy= -414.88139757 a.u.
Kinetic Energy= 414.98346223 a.u.
Potential Energy= -829.86485981 a.u.
Virial Ratio = -1.99975405