(1s 2 2s 2 2p 5 5p 1 ) 1 D Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 3.286090 | .11674222 |
| 2 | 3p | 1.418051 | -1.04733359 |
| 3 | 4p | 1.002807 | 3.05883592 |
| 4 | 5p | .890261 | -2.77187953 |
| 5 | 2p | 7.202404 | .04010912 |
| 6 | 5p | 9.990990 | .00317746 |
| 7 | 4p | 25.155040 | -.00021331 |
| ORB.ENERGY,a.u. | -.389750 | ||
| NORM | 1.000000 | < R > | 7.482073 | < R2 > | 62.945434 | < 1/R > | .189350 | < 1/R**2 > | .135119 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.859659 | 1.28919895 |
| 2 | 3p | 4.597858 | -.37896579 |
| 3 | 2p | 9.549270 | .08555486 |
| 4 | 4p | 11.258860 | .01799650 |
| 5 | 4p | .582500 | -.00466533 |
| 6 | 5p | 2.269335 | .00046810 |
| 7 | 3p | 39.983704 | .00002713 |
| 8 | 3p | .474154 | .00422012 |
| ORB.ENERGY,a.u. | -5.391600 | ||
| NORM | 1.000000 | < R > | .565336 | < R2 > | .397901 | < 1/R > | 2.309876 | < 1/R**2 > | 7.487960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.653443 | .34881761 |
| 2 | 2s | 5.131941 | -.82706704 |
| 3 | 3s | 4.374888 | -.30061499 |
| 4 | 4s | 17.251098 | .00489416 |
| 5 | 3s | 15.275441 | .00654470 |
| 6 | 5s | 35.844114 | .00021238 |
| 7 | 5s | 4.142476 | -.00224210 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602078 | < R2 > | .430297 | < 1/R > | 2.416911 | < 1/R**2 > | 24.032104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91349862 |
| 2 | 1s | 18.069941 | .08416740 |
| 3 | 2s | 6.981528 | .01941473 |
| 4 | 3s | 8.831403 | -.02060283 |
| 5 | 4s | 11.201760 | .01069371 |
| 6 | 5s | 30.968082 | .00096139 |
| 7 | 4s | 73.144129 | -.00004198 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120148 | < R2 > | .019413 | < 1/R > | 12.596282 | < 1/R**2 > | 320.402903 |
Total Energy= -236.03344050 a.u.
Kinetic Energy= 236.03252556 a.u.
Potential Energy= -472.06596606 a.u.
Virial Ratio = -2.00000388