(1s 2 2s 2 2p 4 4p 1 ) 4 S Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 5.936380 | .16469001 |
| 2 | 3p | 1.098238 | 2.00312263 |
| 3 | 4p | 2.161649 | -1.38167220 |
| 4 | 5p | 3.987888 | -.16598597 |
| 5 | 3p | 10.430641 | -.00819060 |
| 6 | 5p | 1.043100 | -.31306431 |
| 7 | 4p | 15.224239 | .00117220 |
| 8 | 4p | .680435 | .23097365 |
| 9 | 5p | 59.201538 | .00001435 |
| 10 | 5p | .706397 | -.11673177 |
| ORB.ENERGY,a.u. | -.949360 | ||
| NORM | .999998 | < R > | 3.777837 | < R2 > | 16.132167 | < 1/R > | .367834 | < 1/R**2 > | .394638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.178453 | 1.23705215 |
| 2 | 3p | 4.946794 | -.30717731 |
| 3 | 2p | 10.034064 | .06614619 |
| 4 | 4p | 11.604307 | .01412876 |
| 5 | 5p | 1.449153 | .00103942 |
| 6 | 5p | 30.040971 | -.00015660 |
| ORB.ENERGY,a.u. | -6.544400 | ||
| NORM | 1.000000 | < R > | .537331 | < R2 > | .356287 | < 1/R > | 2.406161 | < 1/R**2 > | 8.039876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.577223 | .36262837 |
| 2 | 2s | 5.236885 | -.83575616 |
| 3 | 3s | 4.659083 | -.29409889 |
| 4 | 4s | 15.459791 | .00791152 |
| 5 | 3s | 16.311463 | .00647388 |
| 6 | 5s | 30.648607 | .00055505 |
| 7 | 5s | 4.560312 | -.00583870 |
| 8 | 4s | 1.516239 | .00018202 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585685 | < R2 > | .405528 | < 1/R > | 2.485197 | < 1/R**2 > | 25.312506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252369 | .92390142 |
| 2 | 1s | 18.434221 | .07305511 |
| 3 | 2s | 7.364102 | .01966219 |
| 4 | 3s | 9.116733 | -.01964510 |
| 5 | 4s | 11.423747 | .00975952 |
| 6 | 5s | 30.840970 | .00088954 |
| 7 | 4s | 68.215844 | -.00005032 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019357 | < 1/R > | 12.605097 | < 1/R**2 > | 320.744970 |
Total Energy= -231.00568562 a.u.
Kinetic Energy= 230.99659359 a.u.
Potential Energy= -462.00227922 a.u.
Virial Ratio = -2.00003936