(1s 1 2p 1 ) 1 P Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 5.874590 | .94335186 |
| 2 | 2p | 6.779238 | .05379341 |
| 3 | 2p | 22.313686 | .00157455 |
| 4 | 3p | 8.850674 | .01042425 |
| 5 | 4p | 6.064064 | -.00976658 |
| 6 | 5p | 34.291436 | -.00018006 |
| ORB.ENERGY,a.u. | -18.103000 | ||
| NORM | 1.000000 | < R > | .419402 | < R2 > | .210974 | < 1/R > | 2.979522 | < 1/R**2 > | 11.842636 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.757390 | .88793206 |
| 2 | 1s | 15.461920 | .10608975 |
| 3 | 2s | 15.745670 | .01069150 |
| 4 | 3s | 10.525997 | -.00748678 |
| 5 | 4s | 10.646936 | .00094977 |
| 6 | 5s | 14.298639 | .00224221 |
| ORB.ENERGY,a.u. | -81.478000 |
| NORM | 1.000000 | < R > | .115255 | < R2 > | .017705 | < 1/R > | 13.010617 | < 1/R**2 > | 338.456456 |
Total Energy= -102.65512991 a.u.
Kinetic Energy= 102.39333671 a.u.
Potential Energy= -205.04846662 a.u.
Virial Ratio = -2.00255674