(1s 2 2s 2 2p 1 4d 1 ) 3 D C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | .299104 | 1.32733555 |
| 2 | 4d | .248959 | -1.76229322 |
| 3 | 3d | 1.320922 | .00650514 |
| 4 | 5d | .553468 | -.04320605 |
| 5 | 4d | 3.442588 | .00078953 |
| 6 | 5d | 12.672949 | .00003633 |
| ORB.ENERGY,a.u. | -.031897 | ||
| NORM | .999998 | < R > | 20.500164 | < R2 > | 481.277632 | < 1/R > | .064650 | < 1/R**2 > | .006874 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.586756 | .78444817 |
| 2 | 2p | 2.501115 | .25703862 |
| 3 | 2p | 6.553110 | .01035539 |
| 4 | 3p | 2.775418 | -.05515763 |
| 5 | 4p | 1.543663 | .04876464 |
| 6 | 4p | 10.373912 | -.00063744 |
| ORB.ENERGY,a.u. | -.787300 | ||
| NORM | 1.000000 | < R > | 1.472546 | < R2 > | 2.688804 | < 1/R > | .885032 | < 1/R**2 > | 1.102910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579989 | .24032408 |
| 2 | 2s | 1.552744 | -.76084888 |
| 3 | 3s | 2.861709 | -.27227568 |
| 4 | 4s | 11.720136 | .00196013 |
| 5 | 5s | 5.912758 | -.02904579 |
| 6 | 5s | 1.871972 | .02766704 |
| 7 | 2s | 39.636960 | -.00000295 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475722 | < R2 > | 2.590275 | < 1/R > | .961081 | < 1/R**2 > | 3.715704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212982 | .71611788 |
| 2 | 1s | 8.200711 | .22613645 |
| 3 | 1s | 2.379416 | .00350757 |
| 4 | 2s | 6.450519 | .08053813 |
| 5 | 3s | 6.779490 | -.01402014 |
| 6 | 4s | 10.925669 | .00565109 |
| 7 | 5s | 42.329828 | -.00002670 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268103 | < R2 > | .096880 | < 1/R > | 5.668491 | < 1/R**2 > | 65.302583 |
Total Energy= -37.32417055 a.u.
Kinetic Energy= 37.32412004 a.u.
Potential Energy= -74.64829058 a.u.
Virial Ratio = -2.00000135