(1s 2 2s 2 2p 1 4d 1 ) 1 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .313597 | 1.23696809 |
| 2 | 4d | .249479 | -1.64433596 |
| 3 | 3d | 1.307697 | .01532283 |
| 4 | 5d | .569917 | -.06924581 |
| 5 | 4d | 3.246500 | .00149685 |
| 6 | 5d | 9.109736 | .00007374 |
| 7 | 3d | 9.276387 | .00002365 |
| ORB.ENERGY,a.u. | -.032231 | ||
| NORM | .999993 | < R > | 20.201316 | < R2 > | 468.583221 | < 1/R > | .066388 | < 1/R**2 > | .007479 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.582860 | .80460123 |
| 2 | 2p | 2.528935 | .24411098 |
| 3 | 2p | 6.572561 | .01035901 |
| 4 | 3p | 2.716278 | -.05603445 |
| 5 | 4p | 1.478234 | .04195307 |
| 6 | 4p | 10.341454 | -.00058156 |
| ORB.ENERGY,a.u. | -.787630 | ||
| NORM | 1.000000 | < R > | 1.474063 | < R2 > | 2.695862 | < 1/R > | .884465 | < 1/R**2 > | 1.101786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.578981 | .24039291 |
| 2 | 2s | 1.553343 | -.76098625 |
| 3 | 3s | 2.863853 | -.27234473 |
| 4 | 4s | 11.620916 | .00202113 |
| 5 | 5s | 5.914692 | -.02860672 |
| 6 | 5s | 1.871738 | .02728728 |
| 7 | 2s | 34.573877 | -.00000421 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475735 | < R2 > | 2.590380 | < 1/R > | .961091 | < 1/R**2 > | 3.715815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213036 | .71611309 |
| 2 | 1s | 8.200509 | .22614373 |
| 3 | 1s | 2.378758 | .00350258 |
| 4 | 2s | 6.450080 | .08054130 |
| 5 | 3s | 6.779062 | -.01402230 |
| 6 | 4s | 10.925729 | .00565142 |
| 7 | 5s | 42.334337 | -.00002669 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268102 | < R2 > | .096879 | < 1/R > | 5.668503 | < 1/R**2 > | 65.302805 |
Total Energy= -37.32411413 a.u.
Kinetic Energy= 37.32445482 a.u.
Potential Energy= -74.64856894 a.u.
Virial Ratio = -1.99999087