(1s 2 2s 2 2p 4 5d 1 ) 4 P Al 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | 1.341849 | 1.27211826 |
| 2 | 4d | 1.021940 | -5.14907130 |
| 3 | 5d | 1.014838 | 4.60454806 |
| 4 | 3d | 3.162910 | .07323641 |
| 5 | 5d | 4.701731 | -.01856554 |
| 6 | 4d | 8.541858 | .00404550 |
| 7 | 5d | 13.692483 | .00008908 |
| 8 | 3d | 11.753583 | .00078154 |
| ORB.ENERGY,a.u. | -.515580 | ||
| NORM | .999997 | < R > | 6.649481 | < R2 > | 50.334805 | < 1/R > | .213552 | < 1/R**2 > | .100110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.167314 | 1.23362924 |
| 2 | 3p | 4.919290 | -.30645586 |
| 3 | 2p | 9.975975 | .06848122 |
| 4 | 4p | 11.560046 | .01477535 |
| 5 | 5p | 2.977126 | .00016106 |
| 6 | 5p | 29.694100 | -.00015544 |
| ORB.ENERGY,a.u. | -6.695300 | ||
| NORM | 1.000000 | < R > | .537347 | < R2 > | .356313 | < 1/R > | 2.406258 | < 1/R**2 > | 8.041011 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.551957 | .36419718 |
| 2 | 2s | 5.233341 | -.84649137 |
| 3 | 3s | 4.510155 | -.30172438 |
| 4 | 4s | 15.729620 | .01023005 |
| 5 | 3s | 17.958433 | .00473876 |
| 6 | 5s | 30.814647 | .00057920 |
| 7 | 5s | 5.130976 | .01372259 |
| 8 | 4s | 2.159580 | .00006928 |
| ORB.ENERGY,a.u. | -7.107500 | ||
| NORM | 1.000000 | < R > | .585262 | < R2 > | .404895 | < 1/R > | 2.487003 | < 1/R**2 > | 25.346549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.252645 | .92402899 |
| 2 | 1s | 18.421640 | .07306998 |
| 3 | 2s | 7.091895 | .02046745 |
| 4 | 3s | 8.763256 | -.02084596 |
| 5 | 4s | 11.100529 | .00993141 |
| 6 | 5s | 30.647460 | .00085641 |
| 7 | 4s | 67.745587 | -.00005574 |
| ORB.ENERGY,a.u. | -60.759000 |
| NORM | 1.000000 | < R > | .120000 | < R2 > | .019354 | < 1/R > | 12.605749 | < 1/R**2 > | 320.770923 |
Total Energy= -230.56553015 a.u.
Kinetic Energy= 230.56315908 a.u.
Potential Energy= -461.12868923 a.u.
Virial Ratio = -2.00001028