(1s 2 4d 1 ) 2 D S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 3.665293 | 1.80737371 |
| 2 | 4d | 3.489454 | -2.31246299 |
| 3 | 3d | 19.544408 | .00029881 |
| 4 | 4d | 12.461774 | .00033373 |
| 5 | 5d | 3.126554 | .00207042 |
| ORB.ENERGY,a.u. | -6.130500 | ||
| NORM | 1.000000 | < R > | 1.499256 | < R2 > | 2.569105 | < 1/R > | .875771 | < 1/R**2 > | 1.228386 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.412954 | .93826031 |
| 2 | 1s | 24.303704 | .04921236 |
| 3 | 2s | 18.973948 | .01725229 |
| 4 | 3s | 14.044423 | .00052018 |
| 5 | 4s | 54.249267 | -.00064471 |
| 6 | 5s | 67.188702 | .00021152 |
| 7 | 3s | 92.687242 | -.00002689 |
| ORB.ENERGY,a.u. | -117.540000 |
| NORM | 1.000000 | < R > | .096007 | < R2 > | .012328 | < 1/R > | 15.687219 | < 1/R**2 > | 494.788223 |
Total Energy= -252.24413296 a.u.
Kinetic Energy= 252.23822433 a.u.
Potential Energy= -504.48235729 a.u.
Virial Ratio = -2.00002342