(1s 2 5d 1 ) 2 D Al 10+
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 | 2.203016 | 3.53278204 |
| 2 | 4d | 2.202134 | -8.80953552 |
| 3 | 5d | 2.200782 | 5.97115107 |
| 4 | 3d | 8.739475 | .00122969 |
| 5 | 5d | 14.165421 | -.00052957 |
| 6 | 4d | 40.805176 | .00001609 |
| ORB.ENERGY,a.u. | -2.421600 | ||
| NORM | .999999 | < R > | 3.134873 | < R2 > | 11.147009 | < 1/R > | .440397 | < 1/R**2 > | .388490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.434812 | .93859205 |
| 2 | 1s | 20.354104 | .04921681 |
| 3 | 2s | 16.034720 | .01678488 |
| 4 | 3s | 12.648565 | .00163094 |
| 5 | 4s | 39.135916 | -.00112781 |
| 6 | 5s | 46.795857 | .00043485 |
| 7 | 3s | 65.574172 | -.00006109 |
| ORB.ENERGY,a.u. | -76.163000 |
| NORM | 1.000000 | < R > | .118822 | < R2 > | .018896 | < 1/R > | 12.687353 | < 1/R**2 > | 324.051551 |
Total Energy= -163.40980062 a.u.
Kinetic Energy= 163.40690197 a.u.
Potential Energy= -326.81670259 a.u.
Virial Ratio = -2.00001774