(1s 2 2s 2 2p 5 3d 1 ) 3 P Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | 1.469753 | 1.14902961 |
| 2 | 3d | 4.474150 | .04204727 |
| 3 | 4d | 1.922001 | -.18705330 |
| 4 | 5d | 7.092920 | -.00371126 |
| 5 | 4d | 26.484863 | .00004112 |
| 6 | 5d | 1.379496 | .02993163 |
| ORB.ENERGY,a.u. | -.940590 | ||
| NORM | 1.000000 | < R > | 2.389965 | < R2 > | 6.634260 | < 1/R > | .501283 | < 1/R**2 > | .315486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.764309 | 1.31672442 |
| 2 | 3p | 4.442005 | -.41732178 |
| 3 | 2p | 9.360277 | .09543336 |
| 4 | 4p | 11.004957 | .01969944 |
| 5 | 3p | 21.669435 | .00006576 |
| 6 | 5p | 2.572695 | .01470718 |
| 7 | 4p | 2.288591 | -.01612352 |
| 8 | 5p | 35.234840 | -.00008785 |
| ORB.ENERGY,a.u. | -5.045200 | ||
| NORM | 1.000000 | < R > | .566718 | < R2 > | .400369 | < 1/R > | 2.306592 | < 1/R**2 > | 7.471956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.640851 | .34929716 |
| 2 | 2s | 5.140932 | -.82789453 |
| 3 | 3s | 4.354400 | -.30223854 |
| 4 | 4s | 16.460226 | .00560725 |
| 5 | 3s | 15.618133 | .00647154 |
| 6 | 5s | 33.193308 | .00032668 |
| 7 | 5s | 3.457828 | -.00186976 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602543 | < R2 > | .431170 | < 1/R > | 2.415724 | < 1/R**2 > | 24.013333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197489 | .91350019 |
| 2 | 1s | 18.070603 | .08416242 |
| 3 | 2s | 6.989222 | .01938295 |
| 4 | 3s | 8.842683 | -.02057688 |
| 5 | 4s | 11.214927 | .01067159 |
| 6 | 5s | 31.152959 | .00097181 |
| 7 | 4s | 73.013576 | -.00003775 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120141 | < R2 > | .019411 | < 1/R > | 12.596711 | < 1/R**2 > | 320.420036 |
Total Energy= -236.56755803 a.u.
Kinetic Energy= 236.58353428 a.u.
Potential Energy= -473.15109230 a.u.
Virial Ratio = -1.99993247