(1s 2 2s 2 2p 1 5d 1 ) 1 F C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | .223813 | 2.37236591 |
| 2 | 4d | .191437 | -8.51548041 |
| 3 | 5d | .196977 | 7.07456857 |
| 4 | 3d | .672472 | -.00807818 |
| 5 | 5d | 3.976052 | .00055200 |
| 6 | 4d | 7.283402 | .00007283 |
| 7 | 5d | .169049 | -.09810892 |
| ORB.ENERGY,a.u. | -.019875 | ||
| NORM | .999995 | < R > | 34.742563 | < R2 > | 1368.347495 | < 1/R > | .039589 | < 1/R**2 > | .003103 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.587538 | .79459276 |
| 2 | 2p | 2.525911 | .24615522 |
| 3 | 2p | 6.535846 | .01057574 |
| 4 | 3p | 2.744332 | -.05204583 |
| 5 | 4p | 1.537555 | .04570212 |
| 6 | 4p | 10.465185 | -.00060027 |
| ORB.ENERGY,a.u. | -.821720 | ||
| NORM | 1.000000 | < R > | 1.471271 | < R2 > | 2.683445 | < 1/R > | .885587 | < 1/R**2 > | 1.104065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580007 | .24032583 |
| 2 | 2s | 1.552591 | -.76084018 |
| 3 | 3s | 2.862678 | -.27242402 |
| 4 | 4s | 11.699217 | .00197714 |
| 5 | 5s | 5.912247 | -.02891545 |
| 6 | 5s | 1.866182 | .02776989 |
| 7 | 2s | 38.855654 | -.00000313 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475632 | < R2 > | 2.589809 | < 1/R > | .961105 | < 1/R**2 > | 3.715803 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212961 | .71611672 |
| 2 | 1s | 8.200719 | .22613671 |
| 3 | 1s | 2.379981 | .00351215 |
| 4 | 2s | 6.450598 | .08053412 |
| 5 | 3s | 6.780102 | -.01402034 |
| 6 | 4s | 10.925854 | .00565273 |
| 7 | 5s | 42.348088 | -.00002665 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096881 | < 1/R > | 5.668477 | < 1/R**2 > | 65.302335 |
Total Energy= -37.31258917 a.u.
Kinetic Energy= 37.31209987 a.u.
Potential Energy= -74.62468903 a.u.
Virial Ratio = -2.00001311