(1s 2 2s 2 2p 4 3s 1 ) 2 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 11.228073 | .11166505 |
| 2 | 2s | 3.599788 | -.52572335 |
| 3 | 3s | 2.172964 | 1.21108809 |
| 4 | 4s | 9.360544 | -.03658739 |
| 5 | 5s | 15.917899 | -.00469594 |
| 6 | 3s | 12.835028 | -.00664615 |
| 7 | 4s | 1.580727 | .00238423 |
| ORB.ENERGY,a.u. | -2.154900 | ||
| NORM | 1.000000 | < R > | 1.784540 | < R2 > | 3.584605 | < 1/R > | .743966 | < 1/R**2 > | 3.059701 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.127688 | 1.23664009 |
| 2 | 3p | 4.840854 | -.31326972 |
| 3 | 2p | 9.897883 | .07197304 |
| 4 | 4p | 11.607058 | .01489064 |
| 5 | 5p | 29.581580 | -.00015980 |
| 6 | 5p | 3.059245 | .00066698 |
| ORB.ENERGY,a.u. | -6.184900 | ||
| NORM | 1.000000 | < R > | .539251 | < R2 > | .359065 | < 1/R > | 2.399242 | < 1/R**2 > | 7.999290 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.662231 | .31491812 |
| 2 | 2s | 4.337418 | -.77041055 |
| 3 | 3s | 7.184270 | -.23901868 |
| 4 | 4s | 5.639054 | -.05359001 |
| 5 | 5s | 14.934085 | -.01129884 |
| 6 | 4s | 2.432929 | .01181717 |
| 7 | 2s | 13.840823 | .00186509 |
| 8 | 3s | 49.942665 | -.00011835 |
| 9 | 4s | 82.768370 | .00003003 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .581430 | < R2 > | .398376 | < 1/R > | 2.499796 | < 1/R**2 > | 25.572808 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.257443 | .91800672 |
| 2 | 1s | 18.005963 | .07862448 |
| 3 | 2s | 4.307116 | .03866219 |
| 4 | 3s | 3.571899 | -.06232040 |
| 5 | 4s | 4.030173 | .04136924 |
| 6 | 5s | 31.482670 | .00105100 |
| 7 | 4s | 8.439832 | -.00849402 |
| 8 | 3s | 53.402983 | -.00007027 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120023 | < R2 > | .019364 | < 1/R > | 12.604296 | < 1/R**2 > | 320.712391 |
Total Energy= -232.22997619 a.u.
Kinetic Energy= 232.19891262 a.u.
Potential Energy= -464.42888881 a.u.
Virial Ratio = -2.00013378