(1s 2 2s 2 2p 4 5d 1 ) 4 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 1.428722 | 1.03959302 |
| 2 | 4d | 1.020741 | -4.94243373 |
| 3 | 5d | 1.026096 | 4.62640944 |
| 4 | 3d | 3.105421 | .09404048 |
| 5 | 5d | 4.655848 | -.02105529 |
| 6 | 4d | 8.510781 | .00416283 |
| 7 | 5d | 12.916268 | .00008998 |
| 8 | 3d | 11.677267 | .00083378 |
| ORB.ENERGY,a.u. | -.524490 | ||
| NORM | 1.000001 | < R > | 6.533952 | < R2 > | 48.589916 | < 1/R > | .217607 | < 1/R**2 > | .105106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.169402 | 1.23266264 |
| 2 | 3p | 4.926018 | -.30525832 |
| 3 | 2p | 9.977071 | .06835172 |
| 4 | 4p | 11.552282 | .01477380 |
| 5 | 5p | 3.030476 | .00018224 |
| 6 | 5p | 29.813090 | -.00015457 |
| ORB.ENERGY,a.u. | -6.704200 | ||
| NORM | 1.000000 | < R > | .537443 | < R2 > | .356444 | < 1/R > | 2.405886 | < 1/R**2 > | 8.038797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.550352 | .36427349 |
| 2 | 2s | 5.234698 | -.84645707 |
| 3 | 3s | 4.509853 | -.30173765 |
| 4 | 4s | 15.739356 | .01036428 |
| 5 | 3s | 18.036998 | .00467078 |
| 6 | 5s | 30.895136 | .00057870 |
| 7 | 5s | 5.108090 | .01354159 |
| 8 | 4s | 1.789223 | .00003953 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585273 | < R2 > | .404911 | < 1/R > | 2.486959 | < 1/R**2 > | 25.345677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92403005 |
| 2 | 1s | 18.421865 | .07306917 |
| 3 | 2s | 7.092806 | .02046418 |
| 4 | 3s | 8.764417 | -.02084371 |
| 5 | 4s | 11.101247 | .00993063 |
| 6 | 5s | 30.661796 | .00085690 |
| 7 | 4s | 67.710334 | -.00005538 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120000 | < R2 > | .019353 | < 1/R > | 12.605774 | < 1/R**2 > | 320.771902 |
Total Energy= -230.56527568 a.u.
Kinetic Energy= 230.57206892 a.u.
Potential Energy= -461.13734460 a.u.
Virial Ratio = -1.99997054