(1s 2 2s 2 2p 6 3d 1 ) 2 D Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | .958427 | 1.15690237 |
| 2 | 4d | .983249 | -.22529408 |
| 3 | 3d | 1.697515 | .16241160 |
| 4 | 4d | 2.030611 | -.08703085 |
| 5 | 5d | 3.287950 | -.01068044 |
| 6 | 3d | 6.992922 | .00360488 |
| 7 | 4d | 5.747224 | .00722275 |
| ORB.ENERGY,a.u. | -.512060 | ||
| NORM | 1.000000 | < R > | 3.347411 | < R2 > | 12.925477 | < 1/R > | .354579 | < 1/R**2 > | .156184 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.145675 | .54243028 |
| 2 | 3p | 4.653358 | .45405271 |
| 3 | 4p | 3.773922 | .10157195 |
| 4 | 5p | 4.166786 | .00793884 |
| 5 | 2p | 13.761992 | .01121082 |
| 6 | 5p | 10.916683 | -.00857085 |
| 7 | 4p | 46.490381 | .00003208 |
| 8 | 4p | 2.339801 | .00217955 |
| 9 | 3p | 69.592261 | .00000391 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596558 | < R2 > | .447948 | < 1/R > | 2.214932 | < 1/R**2 > | 6.966817 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.768833 | .33370249 |
| 2 | 4s | 2.173951 | -.00534854 |
| 3 | 2s | 5.103673 | -.79948041 |
| 4 | 3s | 4.168346 | -.32981414 |
| 5 | 4s | 17.388935 | .01129787 |
| 6 | 3s | 27.718581 | .00216898 |
| 7 | 5s | 30.270688 | .00128013 |
| 8 | 5s | 2.303839 | .00331064 |
| 9 | 2s | 53.659230 | .00007051 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619616 | < R2 > | .458067 | < 1/R > | 2.349919 | < 1/R**2 > | 22.810795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586576 | 1.01575013 |
| 2 | 2s | 17.932163 | -.02458804 |
| 3 | 3s | 8.797609 | .02359245 |
| 4 | 4s | 40.492004 | -.00023247 |
| 5 | 4s | 30.214156 | .00036113 |
| 6 | 2s | 63.938284 | .00003183 |
| 7 | 5s | 10.845267 | -.00897430 |
| 8 | 3s | 4.326806 | .00028182 |
| 9 | 2s | 123.234454 | -.00000024 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120256 | < R2 > | .019458 | < 1/R > | 12.589499 | < 1/R**2 > | 320.141311 |
Total Energy= -240.51500674 a.u.
Kinetic Energy= 240.51243221 a.u.
Potential Energy= -481.02743895 a.u.
Virial Ratio = -2.00001070