(1s 2 2s 2 2p 4 4d 1 ) 4 D Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 1.613085 | .99732309 |
| 2 | 4d | 1.258940 | -1.55082695 |
| 3 | 3d | 5.115708 | .03838549 |
| 4 | 4d | 3.751566 | .04344629 |
| 5 | 5d | 13.748609 | -.00005684 |
| 6 | 5d | 1.104720 | .02402373 |
| 7 | 4d | 34.796704 | .00001077 |
| ORB.ENERGY,a.u. | -.828080 | ||
| NORM | .999999 | < R > | 3.905342 | < R2 > | 17.558536 | < 1/R > | .347587 | < 1/R**2 > | .209875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.145843 | 1.24228805 |
| 2 | 3p | 4.902094 | -.31598520 |
| 3 | 2p | 9.910101 | .07023473 |
| 4 | 4p | 11.381151 | .01522108 |
| 5 | 5p | 2.875807 | .01219644 |
| 6 | 5p | 31.652528 | -.00014965 |
| 7 | 4p | 2.484826 | -.01357842 |
| ORB.ENERGY,a.u. | -6.574800 | ||
| NORM | 1.000000 | < R > | .537954 | < R2 > | .357243 | < 1/R > | 2.404322 | < 1/R**2 > | 8.030320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.565369 | .36335913 |
| 2 | 2s | 5.242668 | -.83772043 |
| 3 | 3s | 4.627729 | -.29584894 |
| 4 | 4s | 15.631367 | .00913496 |
| 5 | 3s | 17.108894 | .00550747 |
| 6 | 5s | 30.945338 | .00054163 |
| 7 | 5s | 4.188993 | -.00279489 |
| 8 | 4s | 2.310579 | .00025197 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585549 | < R2 > | .405359 | < 1/R > | 2.485965 | < 1/R**2 > | 25.327632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92403326 |
| 2 | 1s | 18.423119 | .07306444 |
| 3 | 2s | 7.096527 | .02045251 |
| 4 | 3s | 8.769218 | -.02083162 |
| 5 | 4s | 11.105215 | .00992480 |
| 6 | 5s | 30.739964 | .00085956 |
| 7 | 4s | 67.494495 | -.00005332 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .119998 | < R2 > | .019353 | < 1/R > | 12.605868 | < 1/R**2 > | 320.775709 |
Total Energy= -230.86125020 a.u.
Kinetic Energy= 230.87571617 a.u.
Potential Energy= -461.73696637 a.u.
Virial Ratio = -1.99993734