(1s 2 2s 2 2p 6 5d 1 ) 2 D Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | .783187 | 1.45387522 |
| 2 | 4d | .643489 | -4.32483657 |
| 3 | 5d | .599244 | 3.56237330 |
| 4 | 3d | 2.511676 | .08819628 |
| 5 | 4d | 3.175124 | -.05379352 |
| 6 | 5d | 6.454043 | -.00264074 |
| 7 | 3d | 14.232884 | .00003895 |
| ORB.ENERGY,a.u. | -.183720 | ||
| NORM | .999994 | < R > | 11.213158 | < R2 > | 143.085765 | < 1/R > | .126195 | < 1/R**2 > | .034698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.147057 | .54223849 |
| 2 | 3p | 4.659094 | .45356489 |
| 3 | 4p | 3.771408 | .10116624 |
| 4 | 5p | 4.453540 | .00727526 |
| 5 | 2p | 13.767529 | .01120824 |
| 6 | 5p | 10.926658 | -.00858920 |
| 7 | 4p | 45.902110 | .00003206 |
| 8 | 4p | 2.931587 | .00330905 |
| 9 | 3p | 66.449707 | .00000436 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596170 | < R2 > | .447148 | < 1/R > | 2.215670 | < 1/R**2 > | 6.970147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.770439 | .33367576 |
| 2 | 4s | 1.928197 | -.00635289 |
| 3 | 2s | 5.102207 | -.79958198 |
| 4 | 3s | 4.168656 | -.32976287 |
| 5 | 4s | 17.465409 | .01128891 |
| 6 | 3s | 28.014866 | .00210023 |
| 7 | 5s | 30.557248 | .00125369 |
| 8 | 5s | 2.125259 | .00496764 |
| 9 | 2s | 54.026311 | .00006914 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619449 | < R2 > | .457738 | < 1/R > | 2.350325 | < 1/R**2 > | 22.817066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586538 | 1.01575115 |
| 2 | 2s | 17.933050 | -.02458935 |
| 3 | 3s | 8.796413 | .02359698 |
| 4 | 4s | 40.451213 | -.00023240 |
| 5 | 4s | 30.208543 | .00036112 |
| 6 | 2s | 63.798954 | .00003196 |
| 7 | 5s | 10.843310 | -.00897655 |
| 8 | 3s | 4.328183 | .00028142 |
| 9 | 2s | 136.648412 | -.00000018 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120256 | < R2 > | .019458 | < 1/R > | 12.589449 | < 1/R**2 > | 320.139314 |
Total Energy= -240.18487376 a.u.
Kinetic Energy= 240.18406660 a.u.
Potential Energy= -480.36894037 a.u.
Virial Ratio = -2.00000336