(1s 2 3d 1 ) 2 D S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 4.668341 | .99963674 |
| 2 | 3d | 12.454268 | .00183477 |
| 3 | 4d | 15.877172 | -.00107806 |
| ORB.ENERGY,a.u. | -10.898000 | ||
| NORM | 1.000000 | < R > | .749501 | < R2 > | .642087 | < 1/R > | 1.556984 | < 1/R**2 > | 2.910534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.412766 | .93825969 |
| 2 | 1s | 24.304594 | .04921235 |
| 3 | 2s | 18.970708 | .01725460 |
| 4 | 3s | 13.506932 | .00053821 |
| 5 | 4s | 54.479360 | -.00064197 |
| 6 | 5s | 67.552446 | .00021091 |
| 7 | 3s | 93.891280 | -.00002564 |
| ORB.ENERGY,a.u. | -116.830000 |
| NORM | 1.000000 | < R > | .096010 | < R2 > | .012329 | < 1/R > | 15.686980 | < 1/R**2 > | 494.777296 |
Total Energy= -257.01569945 a.u.
Kinetic Energy= 257.00387212 a.u.
Potential Energy= -514.01957157 a.u.
Virial Ratio = -2.00004602