(1s 2 2s 2 2p 3 3s 1 ) 3 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 10.919208 | .12955039 |
| 2 | 2s | 3.661973 | -.67087546 |
| 3 | 3s | 2.427323 | 1.31253981 |
| 4 | 4s | 10.051430 | -.02209744 |
| 5 | 5s | 17.403837 | -.00241152 |
| 6 | 3s | 119.183228 | .00000844 |
| 7 | 5s | 2.441596 | -.00395611 |
| 8 | 4s | 65.217291 | .00003695 |
| ORB.ENERGY,a.u. | -2.816900 | ||
| NORM | 1.000000 | < R > | 1.636413 | < R2 > | 3.007153 | < 1/R > | .818237 | < 1/R**2 > | 3.733012 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.765808 | 1.38134120 |
| 2 | 3p | 6.167318 | -.48494948 |
| 3 | 4p | 7.590852 | .09721300 |
| 4 | 5p | 23.944242 | -.00238129 |
| 5 | 4p | 3.167282 | .01152706 |
| 6 | 4p | 33.555854 | -.00078564 |
| 7 | 5p | 3.021387 | -.00743347 |
| 8 | 3p | 2.099725 | .00332313 |
| 9 | 5p | 108.071946 | -.00001346 |
| ORB.ENERGY,a.u. | -8.076400 | ||
| NORM | 1.000000 | < R > | .512396 | < R2 > | .321410 | < 1/R > | 2.500639 | < 1/R**2 > | 8.599974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.447913 | .33387379 |
| 2 | 2s | 4.494899 | -.79001759 |
| 3 | 3s | 7.392516 | -.25486029 |
| 4 | 4s | 20.772188 | .00363928 |
| 5 | 3s | 2.292499 | .02105725 |
| 6 | 5s | 6.904728 | -.04524021 |
| 7 | 2s | 28.405950 | -.00022499 |
| 8 | 4s | 1.950040 | -.00111283 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .564303 | < R2 > | .373647 | < 1/R > | 2.577117 | < 1/R**2 > | 27.061992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.195051 | .93029431 |
| 2 | 1s | 19.443761 | .06786207 |
| 3 | 2s | 12.561168 | .01726397 |
| 4 | 3s | 16.613101 | -.01377752 |
| 5 | 4s | 25.631009 | .00274659 |
| 6 | 5s | 3.234574 | -.00102588 |
| 7 | 5s | 11.081253 | .00223401 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119858 | < R2 > | .019299 | < 1/R > | 12.615066 | < 1/R**2 > | 321.132648 |
Total Energy= -225.97497353 a.u.
Kinetic Energy= 225.93081537 a.u.
Potential Energy= -451.90578890 a.u.
Virial Ratio = -2.00019545