(1s 2 2s 2 2p 4 3p 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
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 | 3p- electron | |
| 1 | 2p | 4.262449 | .33545665 |
| 2 | 3p | 1.971505 | -.85991370 |
| 3 | 4p | 2.623320 | -.21218254 |
| 4 | 2p | 8.101645 | .06774607 |
| 5 | 5p | 11.815821 | .00655512 |
| 6 | 5p | 32.166370 | -.00035761 |
| 7 | 4p | 49.581081 | -.00005829 |
| 8 | 3p | 1.300688 | .00146550 |
| ORB.ENERGY,a.u. | -1.908500 | ||
| NORM | 1.000000 | < R > | 1.813239 | < R2 > | 3.770237 | < 1/R > | .746815 | < 1/R**2 > | 1.229127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.105821 | 1.26871930 |
| 2 | 2p | 9.961494 | .06903038 |
| 3 | 3p | 4.826614 | -.34452755 |
| 4 | 4p | 11.539048 | .01450478 |
| 5 | 5p | 30.301392 | -.00015530 |
| 6 | 5p | 2.799206 | .00642009 |
| 7 | 4p | 2.585668 | -.00234187 |
| ORB.ENERGY,a.u. | -6.283100 | ||
| NORM | 1.000000 | < R > | .540553 | < R2 > | .361628 | < 1/R > | 2.396836 | < 1/R**2 > | 7.989333 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.579150 | .36176126 |
| 2 | 2s | 5.231661 | -.83535242 |
| 3 | 3s | 4.634285 | -.29497510 |
| 4 | 4s | 15.727843 | .00962722 |
| 5 | 3s | 17.707333 | .00483694 |
| 6 | 5s | 30.892326 | .00056131 |
| 7 | 5s | 4.113818 | -.00603602 |
| 8 | 3s | 1.171864 | -.00005749 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .587097 | < R2 > | .407784 | < 1/R > | 2.479789 | < 1/R**2 > | 25.213020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252828 | .92380786 |
| 2 | 1s | 18.448810 | .07295086 |
| 3 | 2s | 7.575126 | .01936206 |
| 4 | 3s | 9.369743 | -.01882562 |
| 5 | 4s | 11.625123 | .00953705 |
| 6 | 5s | 30.903354 | .00088469 |
| 7 | 4s | 67.988469 | -.00005024 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120024 | < R2 > | .019363 | < 1/R > | 12.604104 | < 1/R**2 > | 320.705551 |
Total Energy= -231.90180871 a.u.
Kinetic Energy= 231.95525393 a.u.
Potential Energy= -463.85706264 a.u.
Virial Ratio = -1.99976959