(1s 2 2s 2 2p 4 4p 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .591758 | .01517079 |
| 2 | 2p | 5.836925 | .13643871 |
| 3 | 3p | 1.336958 | 1.58176150 |
| 4 | 4p | 2.164609 | -1.46604102 |
| 5 | 5p | 3.906429 | -.16746571 |
| 6 | 3p | 8.908288 | -.00990472 |
| 7 | 4p | 1.537474 | -.32834079 |
| 8 | 5p | 1.422701 | .83885156 |
| 9 | 3p | .952747 | -.12193841 |
| 10 | 4p | 26.015734 | -.00015343 |
| ORB.ENERGY,a.u. | -.929930 | ||
| NORM | .999999 | < R > | 3.870259 | < R2 > | 16.895418 | < 1/R > | .345773 | < 1/R**2 > | .302868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.318308 | 1.30059212 |
| 2 | 3p | 5.319671 | -.33621717 |
| 3 | 2p | 12.797532 | .02548169 |
| 4 | 4p | 13.703441 | .01538909 |
| 5 | 5p | 1.515902 | .01985639 |
| 6 | 4p | 1.972306 | -.00999981 |
| 7 | 3p | 18.705759 | .00242588 |
| ORB.ENERGY,a.u. | -6.525000 | ||
| NORM | 1.000000 | < R > | .536255 | < R2 > | .356771 | < 1/R > | 2.410153 | < 1/R**2 > | 8.059651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.576833 | .36266390 |
| 2 | 2s | 5.235861 | -.83625442 |
| 3 | 3s | 4.647858 | -.29484389 |
| 4 | 4s | 15.587874 | .00830226 |
| 5 | 3s | 16.620988 | .00601281 |
| 6 | 5s | 30.935020 | .00053196 |
| 7 | 5s | 4.404119 | -.00425380 |
| 8 | 4s | 1.684128 | .00015501 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585642 | < R2 > | .405455 | < 1/R > | 2.485327 | < 1/R**2 > | 25.314616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252274 | .92413854 |
| 2 | 1s | 18.433249 | .07294017 |
| 3 | 2s | 7.116033 | .02045556 |
| 4 | 3s | 8.769526 | -.02080433 |
| 5 | 4s | 11.083472 | .00997684 |
| 6 | 5s | 30.728988 | .00082791 |
| 7 | 4s | 66.525420 | -.00005678 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019357 | < 1/R > | 12.605135 | < 1/R**2 > | 320.746593 |
Total Energy= -231.00013157 a.u.
Kinetic Energy= 230.97723870 a.u.
Potential Energy= -461.97737027 a.u.
Virial Ratio = -2.00009911