(1s 2 2s 2 2p 1 4d 1 ) 1 D N +
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 | .675731 | 1.07098020 |
| 2 | 4d | .494866 | -1.51020971 |
| 3 | 3d | 2.258492 | .02634037 |
| 4 | 5d | 1.164222 | -.07875026 |
| 5 | 4d | 7.591042 | .00055350 |
| 6 | 5d | 10.050854 | -.00036444 |
| 7 | 5d | .439771 | .04130369 |
| ORB.ENERGY,a.u. | -.131480 | ||
| NORM | .999999 | < R > | 9.854851 | < R2 > | 111.771542 | < 1/R > | .137477 | < 1/R**2 > | .032707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.114528 | .83586072 |
| 2 | 2p | 3.594632 | .15433517 |
| 3 | 2p | 7.873304 | .00945479 |
| 4 | 3p | 2.128927 | .00240305 |
| 5 | 4p | 2.006843 | .03808205 |
| 6 | 4p | 12.103398 | -.00065906 |
| 7 | 5p | .614965 | -.00049854 |
| ORB.ENERGY,a.u. | -1.575100 | ||
| NORM | 1.000000 | < R > | 1.124580 | < R2 > | 1.556963 | < 1/R > | 1.148112 | < 1/R**2 > | 1.833566 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.428096 | .26750908 |
| 2 | 2s | 1.999822 | -.76148128 |
| 3 | 3s | 3.463606 | -.27605512 |
| 4 | 4s | 13.187104 | .00226378 |
| 5 | 5s | 7.040428 | -.02359895 |
| 6 | 5s | 2.279608 | .03101030 |
| 7 | 4s | 29.225650 | .00003242 |
| 8 | 4s | 1.900635 | -.00891191 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179993 | < R2 > | 1.646491 | < 1/R > | 1.210455 | < 1/R**2 > | 5.921388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.269064 | .00612034 |
| 2 | 1s | 6.254854 | .70956406 |
| 3 | 1s | 9.332286 | .22635483 |
| 4 | 2s | 7.139657 | .08426187 |
| 5 | 3s | 7.700736 | -.01452455 |
| 6 | 4s | 12.786302 | .00522324 |
| 7 | 5s | 22.094748 | .00019084 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227662 | < R2 > | .069765 | < 1/R > | 6.664036 | < 1/R**2 > | 90.058958 |
Total Energy= -52.94457377 a.u.
Kinetic Energy= 52.94727566 a.u.
Potential Energy= -105.89184943 a.u.
Virial Ratio = -1.99994897