(1s 2 2s 2 2p 5 5p 1 ) 1 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 5p- electron | |
| 1 | 2p | 3.336372 | .11401585 |
| 2 | 3p | 1.405080 | -1.06220248 |
| 3 | 4p | 1.006854 | 3.03796244 |
| 4 | 5p | .888226 | -2.72931213 |
| 5 | 2p | 7.205492 | .04045045 |
| 6 | 5p | 10.256052 | .00347368 |
| 7 | 4p | 25.883138 | -.00019192 |
| ORB.ENERGY,a.u. | -.389170 | ||
| NORM | 1.000003 | < R > | 7.490079 | < R2 > | 63.090538 | < 1/R > | .189595 | < 1/R**2 > | .136931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.840410 | 1.29926677 |
| 2 | 3p | 4.573489 | -.38929337 |
| 3 | 2p | 9.520916 | .08680774 |
| 4 | 4p | 11.211140 | .01820352 |
| 5 | 3p | 41.709438 | .00002528 |
| 6 | 5p | 2.811906 | .00779183 |
| 7 | 4p | 2.564023 | -.00915319 |
| 8 | 3p | .349569 | -.00016804 |
| ORB.ENERGY,a.u. | -5.391000 | ||
| NORM | 1.000000 | < R > | .565375 | < R2 > | .397953 | < 1/R > | 2.309799 | < 1/R**2 > | 7.487652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.650765 | .34895038 |
| 2 | 2s | 5.133516 | -.82762915 |
| 3 | 3s | 4.367457 | -.30108088 |
| 4 | 4s | 16.913395 | .00513339 |
| 5 | 3s | 15.439344 | .00651262 |
| 6 | 5s | 34.449389 | .00025382 |
| 7 | 5s | 3.978552 | -.00147112 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602079 | < R2 > | .430299 | < 1/R > | 2.416911 | < 1/R**2 > | 24.032121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91349847 |
| 2 | 1s | 18.069941 | .08416739 |
| 3 | 2s | 6.981920 | .01941402 |
| 4 | 3s | 8.831691 | -.02060164 |
| 5 | 4s | 11.201803 | .01069357 |
| 6 | 5s | 30.966593 | .00096126 |
| 7 | 4s | 73.140711 | -.00004204 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120148 | < R2 > | .019413 | < 1/R > | 12.596280 | < 1/R**2 > | 320.402822 |
Total Energy= -236.03344455 a.u.
Kinetic Energy= 236.03195277 a.u.
Potential Energy= -472.06539732 a.u.
Virial Ratio = -2.00000632