(1s 2 2s 2 2p 2 3p 1 ) 4 P Al 6+
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 | 4.143069 | .66159994 |
| 2 | 3p | 2.592215 | -1.27521730 |
| 3 | 2p | 11.011756 | .02289053 |
| 4 | 4p | 6.788145 | -.07140157 |
| 5 | 5p | 16.285920 | .00224285 |
| 6 | 5p | 4.257250 | .03690881 |
| ORB.ENERGY,a.u. | -3.274300 | ||
| NORM | 1.000000 | < R > | 1.485254 | < R2 > | 2.523921 | < 1/R > | .913385 | < 1/R**2 > | 1.761537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.598918 | 1.29279752 |
| 2 | 3p | 5.309107 | -.32463022 |
| 3 | 2p | 11.875973 | .02817273 |
| 4 | 4p | 13.129576 | .00641468 |
| 5 | 5p | 28.087565 | -.00029790 |
| 6 | 5p | 3.664648 | .02312530 |
| 7 | 4p | 3.451475 | -.03069656 |
| ORB.ENERGY,a.u. | -9.608100 | ||
| NORM | 1.000000 | < R > | .492234 | < R2 > | .295710 | < 1/R > | 2.590675 | < 1/R**2 > | 9.172220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.535292 | .38540119 |
| 2 | 2s | 5.386898 | -.83610371 |
| 3 | 3s | 5.593267 | -.27322588 |
| 4 | 4s | 21.177962 | .00245574 |
| 5 | 3s | 12.756364 | .01525714 |
| 6 | 5s | 5.380031 | -.03525880 |
| 7 | 5s | 3.089867 | -.00036562 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555916 | < R2 > | .363206 | < 1/R > | 2.624203 | < 1/R**2 > | 28.015763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.156692 | .92059079 |
| 2 | 1s | 18.855393 | .07892347 |
| 3 | 2s | 11.353208 | .01918229 |
| 4 | 3s | 14.456975 | -.01545099 |
| 5 | 5s | 30.521597 | .00103694 |
| 6 | 4s | 70.212497 | -.00004824 |
| 7 | 5s | 10.547028 | .00066112 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119637 | < R2 > | .019208 | < 1/R > | 12.629427 | < 1/R**2 > | 321.695784 |
Total Energy= -217.47157294 a.u.
Kinetic Energy= 217.50302233 a.u.
Potential Energy= -434.97459528 a.u.
Virial Ratio = -1.99985541