(1s 2 2s 2 2p 2 5d 1 ) 2 D F 2+
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 | .719858 | 1.89171003 |
| 2 | 4d | .657451 | -4.37957795 |
| 3 | 5d | .576487 | 3.19679092 |
| 4 | 3d | 3.792643 | .00680052 |
| 5 | 4d | .395200 | -.12869622 |
| 6 | 5d | 1.084651 | .07441418 |
| 7 | 5d | .342968 | .01543126 |
| ORB.ENERGY,a.u. | -.179530 | ||
| NORM | 1.000009 | < R > | 11.510250 | < R2 > | 150.478485 | < 1/R > | .121003 | < 1/R**2 > | .030121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.764041 | .83200970 |
| 2 | 2p | 4.741431 | .19991755 |
| 3 | 2p | 10.357049 | .00822592 |
| 4 | 3p | 1.481110 | .02004492 |
| 5 | 4p | 3.265702 | -.01919853 |
| 6 | 5p | 21.299820 | -.00023202 |
| 7 | 5p | 1.859841 | -.01159914 |
| ORB.ENERGY,a.u. | -3.038300 | ||
| NORM | 1.000000 | < R > | .817036 | < R2 > | .821332 | < 1/R > | 1.578381 | < 1/R**2 > | 3.455912 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.461299 | .33179229 |
| 2 | 2s | 3.416173 | -.84989006 |
| 3 | 3s | 3.107669 | -.25856765 |
| 4 | 4s | 10.499024 | .01580780 |
| 5 | 3s | 12.074458 | .01087995 |
| 6 | 5s | 3.213220 | -.01347520 |
| 7 | 5s | 34.134008 | -.00012605 |
| 8 | 2s | 43.766538 | .00002738 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880592 | < R2 > | .916596 | < 1/R > | 1.636924 | < 1/R**2 > | 10.909888 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278265 | .68788792 |
| 2 | 1s | 12.188069 | .22285888 |
| 3 | 1s | 2.690985 | .00561741 |
| 4 | 2s | 9.052805 | .12781872 |
| 5 | 3s | 10.121700 | -.02746051 |
| 6 | 4s | 17.035087 | .00330725 |
| 7 | 5s | 4.813360 | -.00125978 |
| 8 | 5s | 52.800060 | -.00003423 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175225 | < R2 > | .041296 | < 1/R > | 8.645445 | < 1/R**2 > | 151.229430 |
Total Energy= -95.50463326 a.u.
Kinetic Energy= 95.49912795 a.u.
Potential Energy= -191.00376121 a.u.
Virial Ratio = -2.00005765