(1s 2 2s 1 4d 1 ) 1 D F 5+
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 | 1.578678 | 1.77484686 |
| 2 | 4d | 1.494778 | -2.27525456 |
| 3 | 5d | 7.995276 | .00262979 |
| 4 | 3d | 6.362940 | .00442148 |
| 5 | 5d | 1.077706 | .00052195 |
| ORB.ENERGY,a.u. | -1.125400 | ||
| NORM | 1.000001 | < R > | 3.489545 | < R2 > | 13.944851 | < 1/R > | .378672 | < 1/R**2 > | .232331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.362109 | .38983921 |
| 2 | 2s | 3.633938 | -.87727792 |
| 3 | 3s | 4.313960 | -.25207190 |
| 4 | 4s | 9.476892 | .03004051 |
| 5 | 3s | 11.793161 | .01139122 |
| 6 | 5s | 8.975572 | -.00993570 |
| 7 | 5s | 3.373959 | -.00357792 |
| 8 | 5s | 18.780282 | .00117649 |
| 9 | 3s | 29.713985 | -.00008978 |
| ORB.ENERGY,a.u. | -6.393800 | ||
| NORM | 1.000000 | < R > | .778848 | < R2 > | .707820 | < 1/R > | 1.870184 | < 1/R**2 > | 14.128973 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.185297 | .86336591 |
| 2 | 1s | 12.101898 | .13677606 |
| 3 | 2s | 5.752558 | .02940738 |
| 4 | 3s | 7.267606 | -.03348902 |
| 5 | 4s | 16.447064 | .00401651 |
| 6 | 5s | 9.689212 | .00456988 |
| 7 | 5s | 60.300728 | -.00002203 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174263 | < R2 > | .040753 | < 1/R > | 8.676748 | < 1/R**2 > | 152.091232 |
Total Energy= -83.47572233 a.u.
Kinetic Energy= 83.40480622 a.u.
Potential Energy= -166.88052855 a.u.
Virial Ratio = -2.00085026