(1s 2 2s 2 2p 3 5s 1 ) 5 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 10.620614 | .06320047 |
| 2 | 2s | 3.755335 | -.33134998 |
| 3 | 3s | 1.766902 | 2.25358026 |
| 4 | 4s | 1.581142 | -4.19358524 |
| 5 | 5s | 1.325767 | 2.76145627 |
| 6 | 4s | 10.347144 | -.01098380 |
| 7 | 5s | 26.671913 | .00016127 |
| 8 | 5s | .604157 | -.00064569 |
| ORB.ENERGY,a.u. | -.884330 | ||
| NORM | .999998 | < R > | 5.108650 | < R2 > | 29.204620 | < 1/R > | .281205 | < 1/R**2 > | .804298 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.774761 | 1.38279398 |
| 2 | 3p | 6.168516 | -.48320392 |
| 3 | 4p | 7.626697 | .09469835 |
| 4 | 5p | 22.187028 | -.00259885 |
| 5 | 4p | 3.122474 | .01309874 |
| 6 | 4p | 29.000737 | -.00126685 |
| 7 | 5p | 3.077534 | -.00794755 |
| 8 | 3p | 1.870843 | .00163026 |
| 9 | 3p | 40.839316 | -.00010564 |
| ORB.ENERGY,a.u. | -8.624800 | ||
| NORM | 1.000000 | < R > | .510620 | < R2 > | .319096 | < 1/R > | 2.508223 | < 1/R**2 > | 8.646918 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.418800 | .33287447 |
| 2 | 2s | 4.498549 | -.77590206 |
| 3 | 3s | 7.449524 | -.25495609 |
| 4 | 4s | 20.702160 | .00301636 |
| 5 | 5s | 6.971283 | -.04959127 |
| 6 | 4s | 1.269868 | .04135554 |
| 7 | 5s | 1.359116 | -.03556237 |
| 8 | 2s | 20.788086 | -.00097407 |
| 9 | 3s | 1.581826 | -.00952142 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .569456 | < R2 > | .382208 | < 1/R > | 2.558286 | < 1/R**2 > | 26.717327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.169904 | .91836967 |
| 2 | 1s | 18.567151 | .08067796 |
| 3 | 2s | 10.254635 | .01817010 |
| 4 | 3s | 14.747129 | -.01520386 |
| 5 | 4s | 22.673672 | .00334861 |
| 6 | 5s | 41.501142 | .00023943 |
| 7 | 5s | 7.854938 | .00032779 |
| 8 | 4s | 1.526322 | -.00234015 |
| 9 | 3s | 1.125018 | .00237792 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119821 | < R2 > | .019284 | < 1/R > | 12.617416 | < 1/R**2 > | 321.225674 |
Total Energy= -223.99717970 a.u.
Kinetic Energy= 224.00200798 a.u.
Potential Energy= -447.99918769 a.u.
Virial Ratio = -1.99997845