(1s 2 2s 2 2p 4 4p 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 5.924784 | .17708112 |
| 2 | 3p | 1.155176 | 1.66873220 |
| 3 | 4p | 2.266411 | -1.22780576 |
| 4 | 5p | 4.154124 | -.15496136 |
| 5 | 3p | 10.585846 | -.00640565 |
| 6 | 4p | 1.095521 | -.39471270 |
| 7 | 5p | 1.433145 | .41304308 |
| 8 | 3p | .631962 | .03164241 |
| 9 | 4p | 26.509943 | -.00011084 |
| 10 | 2p | .389373 | -.00824851 |
| ORB.ENERGY,a.u. | -.974800 | ||
| NORM | 1.000000 | < R > | 3.684526 | < R2 > | 15.351154 | < 1/R > | .381357 | < 1/R**2 > | .437072 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.156426 | 1.24291747 |
| 2 | 3p | 4.902926 | -.31537719 |
| 3 | 2p | 10.067069 | .06660221 |
| 4 | 4p | 11.663605 | .01556281 |
| 5 | 5p | 1.659358 | -.00264770 |
| 6 | 4p | 1.892074 | .00189587 |
| 7 | 4p | 52.727515 | .00002143 |
| ORB.ENERGY,a.u. | -6.569800 | ||
| NORM | 1.000000 | < R > | .537925 | < R2 > | .357198 | < 1/R > | 2.404323 | < 1/R**2 > | 8.029877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.576885 | .36263270 |
| 2 | 2s | 5.236622 | -.83579463 |
| 3 | 3s | 4.650974 | -.29482250 |
| 4 | 4s | 15.591630 | .00771041 |
| 5 | 3s | 16.194882 | .00653759 |
| 6 | 5s | 31.250113 | .00050281 |
| 7 | 5s | 4.430357 | -.00493319 |
| 8 | 4s | 1.848376 | .00029409 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585710 | < R2 > | .405568 | < 1/R > | 2.485108 | < 1/R**2 > | 25.310877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252941 | .92401810 |
| 2 | 1s | 18.432561 | .07296705 |
| 3 | 2s | 7.211004 | .02024076 |
| 4 | 3s | 8.894153 | -.02038113 |
| 5 | 4s | 11.210583 | .00986951 |
| 6 | 5s | 30.769341 | .00085401 |
| 7 | 4s | 67.200848 | -.00005405 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120009 | < R2 > | .019357 | < 1/R > | 12.605104 | < 1/R**2 > | 320.745213 |
Total Energy= -231.00515219 a.u.
Kinetic Energy= 231.02203438 a.u.
Potential Energy= -462.02718657 a.u.
Virial Ratio = -1.99992692