(1s 2 2s 1 2p 1 ) 1 P Al 9+
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 | 5.416061 | 1.00064396 |
| 2 | 2p | 10.814087 | .02519472 |
| 3 | 2p | 24.778739 | .00089233 |
| 4 | 3p | 4.777460 | .02885987 |
| 5 | 4p | 8.188009 | -.04661933 |
| 6 | 5p | 43.293669 | .00010916 |
| 7 | 3p | 34.990327 | .00019355 |
| ORB.ENERGY,a.u. | -13.217000 | ||
| NORM | 1.000000 | < R > | .457076 | < R2 > | .253290 | < 1/R > | 2.769684 | < 1/R**2 > | 10.392361 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.188847 | .37500707 |
| 2 | 2s | 4.957609 | -.80544994 |
| 3 | 3s | 6.970831 | -.29109510 |
| 4 | 4s | 21.049367 | .00870946 |
| 5 | 5s | 26.965188 | -.00243958 |
| 6 | 5s | 4.852498 | .01274373 |
| 7 | 3s | 47.410176 | .00007717 |
| 8 | 4s | 3.866631 | -.00489147 |
| ORB.ENERGY,a.u. | -14.041000 | ||
| NORM | 1.000000 | < R > | .531187 | < R2 > | .330179 | < 1/R > | 2.772272 | < 1/R**2 > | 31.400299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.413156 | .93737269 |
| 2 | 1s | 19.354129 | .05305966 |
| 3 | 2s | 12.726620 | .01404117 |
| 4 | 3s | 5.874498 | .00303845 |
| 5 | 4s | 46.199235 | -.00034831 |
| 6 | 5s | 12.486610 | .00239087 |
| 7 | 3s | 63.869615 | -.00006383 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119604 | < R2 > | .019216 | < 1/R > | 12.636626 | < 1/R**2 > | 322.045760 |
Total Energy= -190.91236659 a.u.
Kinetic Energy= 190.39461751 a.u.
Potential Energy= -381.30698410 a.u.
Virial Ratio = -2.00271935