(1s 2 2s 2 2p 3 5d 1 ) 3 D Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 1.583141 | 1.39573727 |
| 2 | 4d | 1.234412 | -4.92095185 |
| 3 | 5d | 1.198532 | 4.29110562 |
| 4 | 3d | 4.408465 | .03468807 |
| 5 | 5d | 6.619343 | -.00989035 |
| 6 | 4d | 17.543883 | .00019097 |
| 7 | 5d | .962945 | -.03109720 |
| 8 | 4d | 43.123696 | .00001412 |
| ORB.ENERGY,a.u. | -.732140 | ||
| NORM | 1.000007 | < R > | 5.634737 | < R2 > | 36.091224 | < 1/R > | .248965 | < 1/R**2 > | .130603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.776172 | 1.38262622 |
| 2 | 3p | 6.165043 | -.48334339 |
| 3 | 4p | 7.607437 | .09500567 |
| 4 | 5p | 22.119291 | -.00260560 |
| 5 | 4p | 3.182120 | .01314955 |
| 6 | 4p | 28.794539 | -.00129363 |
| 7 | 5p | 3.210365 | -.00678984 |
| 8 | 3p | 1.953351 | .00069482 |
| 9 | 3p | 40.140370 | -.00011229 |
| ORB.ENERGY,a.u. | -8.604200 | ||
| NORM | 1.000000 | < R > | .510450 | < R2 > | .318890 | < 1/R > | 2.509050 | < 1/R**2 > | 8.652477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.485982 | .37836706 |
| 2 | 2s | 5.347220 | -.84678431 |
| 3 | 3s | 5.026214 | -.28298963 |
| 4 | 4s | 21.360865 | .00230771 |
| 5 | 3s | 12.543334 | .01637264 |
| 6 | 5s | 5.149191 | -.01520556 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569248 | < R2 > | .381663 | < 1/R > | 2.559010 | < 1/R**2 > | 26.730600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169145 | .91994004 |
| 2 | 1s | 18.713622 | .07895404 |
| 3 | 2s | 10.847994 | .01802566 |
| 4 | 3s | 15.235948 | -.01488559 |
| 5 | 4s | 23.767224 | .00309819 |
| 6 | 5s | 41.869379 | .00013744 |
| 7 | 5s | 9.320629 | .00077960 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119822 | < R2 > | .019282 | < 1/R > | 12.617363 | < 1/R**2 > | 321.224483 |
Total Energy= -223.86282446 a.u.
Kinetic Energy= 223.85069002 a.u.
Potential Energy= -447.71351448 a.u.
Virial Ratio = -2.00005421