(1s 2 2s 2 2p 2 4p 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 5.982585 | .23176858 |
| 2 | 3p | 1.682899 | -.44808867 |
| 3 | 5p | 2.069723 | 1.32352966 |
| 4 | 4p | 3.130975 | -.65655404 |
| 5 | 5p | 7.640793 | .02558161 |
| 6 | 4p | 18.997578 | -.00237568 |
| 7 | 5p | 1.812713 | .23299422 |
| 8 | 5p | 46.675283 | -.00018985 |
| 9 | 4p | 78.655110 | -.00002924 |
| ORB.ENERGY,a.u. | -1.742400 | ||
| NORM | 1.000000 | < R > | 2.889292 | < R2 > | 9.438718 | < 1/R > | .488073 | < 1/R**2 > | .678089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.837719 | 1.19292145 |
| 2 | 3p | 5.803790 | -.21471597 |
| 3 | 2p | 12.683004 | .01927841 |
| 4 | 4p | 13.868064 | .00420973 |
| 5 | 5p | 1.998552 | -.00362129 |
| 6 | 5p | 27.896998 | -.00033363 |
| 7 | 4p | 1.739557 | .00335388 |
| ORB.ENERGY,a.u. | -9.987500 | ||
| NORM | 1.000000 | < R > | .490755 | < R2 > | .293348 | < 1/R > | 2.595072 | < 1/R**2 > | 9.195990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.495624 | .38872695 |
| 2 | 2s | 5.428490 | -.83535901 |
| 3 | 3s | 5.663190 | -.27302670 |
| 4 | 4s | 21.689138 | .00242977 |
| 5 | 3s | 12.286426 | .01812448 |
| 6 | 5s | 5.640720 | -.04215224 |
| 7 | 4s | 1.468827 | .00016132 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554163 | < R2 > | .360632 | < 1/R > | 2.632091 | < 1/R**2 > | 28.168716 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158484 | .91999472 |
| 2 | 1s | 18.808474 | .07949837 |
| 3 | 2s | 11.270385 | .01920742 |
| 4 | 3s | 14.402195 | -.01548715 |
| 5 | 5s | 30.660952 | .00111333 |
| 6 | 4s | 73.297110 | -.00003983 |
| 7 | 5s | 9.891821 | .00055268 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119610 | < R2 > | .019198 | < 1/R > | 12.631324 | < 1/R**2 > | 321.771624 |
Total Energy= -215.96266893 a.u.
Kinetic Energy= 215.97204129 a.u.
Potential Energy= -431.93471022 a.u.
Virial Ratio = -1.99995660