(1s 2 2s 2 2p 4 ) 1 D Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 4.609071 | 1.42723416 |
| 2 | 3p | 6.164366 | -.52063823 |
| 3 | 4p | 7.822514 | .08080024 |
| 4 | 5p | 4.093076 | .03228634 |
| 5 | 4p | 21.378590 | -.00224471 |
| 6 | 4p | 3.071372 | -.01378951 |
| 7 | 5p | 48.959448 | -.00015616 |
| 8 | 3p | 2.129149 | .00280319 |
| 9 | 4p | 74.401125 | -.00003247 |
| ORB.ENERGY,a.u. | -6.739300 | ||
| NORM | 1.000000 | < R > | .538923 | < R2 > | .358665 | < 1/R > | 2.401360 | < 1/R**2 > | 8.016033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.538925 | .36515125 |
| 2 | 2s | 5.219964 | -.85619502 |
| 3 | 3s | 4.596586 | -.27915697 |
| 4 | 4s | 21.248258 | .00222447 |
| 5 | 3s | 12.690758 | .01467479 |
| 6 | 5s | 5.886601 | -.00206836 |
| 7 | 4s | 3.306405 | -.00061407 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .584806 | < R2 > | .404206 | < 1/R > | 2.488916 | < 1/R**2 > | 25.382710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159640 | .91968942 |
| 2 | 1s | 18.649264 | .07962103 |
| 3 | 2s | 10.091921 | .01830283 |
| 4 | 3s | 15.087186 | -.01505241 |
| 5 | 4s | 23.364970 | .00326090 |
| 6 | 5s | 43.031617 | .00014787 |
| 7 | 5s | 8.165865 | .00065188 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119996 | < R2 > | .019352 | < 1/R > | 12.606002 | < 1/R**2 > | 320.780729 |
Total Energy= -230.04711822 a.u.
Kinetic Energy= 229.85694330 a.u.
Potential Energy= -459.90406152 a.u.
Virial Ratio = -2.00082736