(1s 2 2s 2 2p 2 5d 1 ) 2 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 2.911933 | 1.86389225 |
| 2 | 4d | 2.526101 | -5.15487091 |
| 3 | 5d | 2.386520 | 4.01637711 |
| 4 | 3d | 10.154786 | .01146355 |
| 5 | 5d | 5.427124 | -.01786814 |
| 6 | 4d | 28.093473 | -.00027031 |
| 7 | 5d | 1.761706 | -.00620278 |
| 8 | 5d | 41.556547 | .00008276 |
| ORB.ENERGY,a.u. | -2.903500 | ||
| NORM | .999997 | < R > | 2.845637 | < R2 > | 9.198598 | < 1/R > | .489967 | < 1/R**2 > | .494773 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.205517 | 1.15091321 |
| 2 | 3p | 8.311522 | -.17371213 |
| 3 | 2p | 16.843621 | .02081955 |
| 4 | 4p | 18.399169 | .00458971 |
| 5 | 5p | 40.679842 | -.00021584 |
| 6 | 5p | 7.492245 | -.00812411 |
| 7 | 4p | 5.993236 | .00334961 |
| ORB.ENERGY,a.u. | -24.665000 | ||
| NORM | 1.000000 | < R > | .328203 | < R2 > | .130532 | < 1/R > | 3.855758 | < 1/R**2 > | 20.139010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.071003 | .43724807 |
| 2 | 2s | 7.983020 | -.87234739 |
| 3 | 3s | 8.177528 | -.28722446 |
| 4 | 4s | 30.458469 | .00191674 |
| 5 | 3s | 16.644754 | .01574885 |
| 6 | 5s | 8.174760 | -.01819103 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378497 | < R2 > | .167758 | < 1/R > | 3.884314 | < 1/R**2 > | 61.154713 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683559 |
| 2 | 1s | 25.714413 | .07171081 |
| 3 | 2s | 15.772589 | .01936876 |
| 4 | 3s | 19.684193 | -.01555071 |
| 5 | 5s | 42.441629 | .00077858 |
| 6 | 4s | 99.604986 | -.00003419 |
| 7 | 5s | 12.687029 | .00022901 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009807 | < 1/R > | 17.624146 | < 1/R**2 > | 625.029176 |
Total Energy= -433.34453868 a.u.
Kinetic Energy= 433.30037042 a.u.
Potential Energy= -866.64490910 a.u.
Virial Ratio = -2.00010193