(1s 2 2s 2 2p 5 5p 1 ) 3 S Al 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 7.264752 | .04008742 |
| 2 | 2p | 3.584029 | .11556008 |
| 3 | 3p | 1.512140 | -.91789867 |
| 4 | 4p | 1.017397 | 2.84817140 |
| 5 | 5p | .903749 | -2.68666046 |
| 6 | 5p | 10.053244 | .00441353 |
| 7 | 4p | 25.752714 | -.00023296 |
| ORB.ENERGY,a.u. | -.397900 | ||
| NORM | 1.000000 | < R > | 7.330849 | < R2 > | 60.423341 | < 1/R > | .195101 | < 1/R**2 > | .150699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.857011 | 1.29171732 |
| 2 | 3p | 4.595863 | -.38157218 |
| 3 | 4p | 1.148621 | -.01341012 |
| 4 | 2p | 9.583885 | .08470387 |
| 5 | 4p | 11.325310 | .01965116 |
| 6 | 5p | 1.092968 | .00748263 |
| 7 | 4p | 1.494746 | .00738815 |
| 8 | 3p | 35.800859 | .00004402 |
| 9 | 5p | 14.667143 | -.00086930 |
| ORB.ENERGY,a.u. | -5.399700 | ||
| NORM | 1.000000 | < R > | .565575 | < R2 > | .398313 | < 1/R > | 2.309258 | < 1/R**2 > | 7.484838 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.647025 | .34913074 |
| 2 | 2s | 5.133905 | -.82864794 |
| 3 | 3s | 4.358965 | -.30099947 |
| 4 | 4s | 16.743042 | .00526254 |
| 5 | 3s | 15.445286 | .00652275 |
| 6 | 5s | 33.986313 | .00029339 |
| 7 | 5s | 3.644931 | -.00076167 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .602086 | < R2 > | .430311 | < 1/R > | 2.416891 | < 1/R**2 > | 24.031792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.197191 | .91349872 |
| 2 | 1s | 18.069941 | .08416742 |
| 3 | 2s | 6.981954 | .01941350 |
| 4 | 3s | 8.831577 | -.02060242 |
| 5 | 4s | 11.201722 | .01069397 |
| 6 | 5s | 30.966634 | .00096129 |
| 7 | 4s | 73.141756 | -.00004203 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120147 | < R2 > | .019413 | < 1/R > | 12.596284 | < 1/R**2 > | 320.402986 |
Total Energy= -236.03321197 a.u.
Kinetic Energy= 236.04069023 a.u.
Potential Energy= -472.07390220 a.u.
Virial Ratio = -1.99996832