(1s 2 2s 2 2p 6 3p 1 ) 2 P Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | .971937 | -.19104600 |
| 2 | 3p | 1.402576 | -.86275145 |
| 3 | 2p | 3.109698 | .19633820 |
| 4 | 2p | 6.198558 | .12380790 |
| 5 | 3p | 8.473289 | -.01557007 |
| 6 | 4p | 21.291289 | -.00051111 |
| 7 | 5p | .778061 | .00677846 |
| 8 | 3p | 28.214738 | -.00007098 |
| 9 | 4p | .619441 | -.00462735 |
| ORB.ENERGY,a.u. | -.790920 | ||
| NORM | 1.000000 | < R > | 2.591169 | < R2 > | 7.691554 | < 1/R > | .500543 | < 1/R**2 > | .551280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.149502 | .54054975 |
| 2 | 3p | 4.652050 | .45600711 |
| 3 | 4p | 3.764971 | .10209127 |
| 4 | 5p | 4.050383 | .00806534 |
| 5 | 2p | 13.744832 | .01124440 |
| 6 | 5p | 10.889546 | -.00857677 |
| 7 | 4p | 46.715014 | .00003104 |
| 8 | 4p | 2.205556 | .00226276 |
| 9 | 3p | 69.505091 | .00000382 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .597568 | < R2 > | .449680 | < 1/R > | 2.212068 | < 1/R**2 > | 6.951231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.721717 | .33549664 |
| 2 | 4s | 2.306698 | -.00226989 |
| 3 | 2s | 5.098720 | -.79997656 |
| 4 | 3s | 4.159940 | -.32932166 |
| 5 | 4s | 17.583082 | .00981508 |
| 6 | 3s | 26.685524 | .00146002 |
| 7 | 5s | 31.404308 | .00079640 |
| 8 | 5s | 2.004283 | .00601924 |
| 9 | 4s | 1.742501 | -.00622129 |
| 10 | 2s | 66.505139 | .00001387 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .620417 | < R2 > | .459403 | < 1/R > | 2.347058 | < 1/R**2 > | 22.759571 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586197 | 1.01575347 |
| 2 | 2s | 17.944494 | -.02460807 |
| 3 | 3s | 8.798098 | .02359932 |
| 4 | 4s | 40.154828 | -.00023588 |
| 5 | 4s | 30.680300 | .00036014 |
| 6 | 2s | 61.247903 | .00003696 |
| 7 | 5s | 10.831959 | -.00896905 |
| 8 | 3s | 4.594223 | .00030602 |
| 9 | 2s | 99.400249 | -.00000023 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120265 | < R2 > | .019461 | < 1/R > | 12.588903 | < 1/R**2 > | 320.117831 |
Total Energy= -240.79111204 a.u.
Kinetic Energy= 240.79112474 a.u.
Potential Energy= -481.58223678 a.u.
Virial Ratio = -1.99999995