(1s 2 2s 2 3p 1 ) 2 P Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 4.028411 | .79226483 |
| 2 | 3p | 3.109440 | -1.44957560 |
| 3 | 2p | 8.897654 | .06429574 |
| 4 | 4p | 9.705532 | .01907770 |
| 5 | 5p | 16.731566 | .00219782 |
| 6 | 5p | 2.982359 | .00570115 |
| ORB.ENERGY,a.u. | -4.913500 | ||
| NORM | 1.000000 | < R > | 1.270876 | < R2 > | 1.859048 | < 1/R > | 1.094166 | < 1/R**2 > | 2.498476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.112365 | .37650078 |
| 2 | 2s | 5.081174 | -.78212513 |
| 3 | 3s | 6.793412 | -.28989298 |
| 4 | 5s | 11.807655 | -.01944325 |
| 5 | 4s | 23.042478 | .00318614 |
| 6 | 5s | 16.662993 | -.00469338 |
| 7 | 5s | 31.306999 | -.00061826 |
| ORB.ENERGY,a.u. | -13.558000 | ||
| NORM | 1.000000 | < R > | .527223 | < R2 > | .325063 | < 1/R > | 2.776408 | < 1/R**2 > | 31.097575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.281262 | .94469136 |
| 2 | 1s | 20.761479 | .05224232 |
| 3 | 2s | 14.233461 | .02040257 |
| 4 | 3s | 16.104480 | -.01514794 |
| 5 | 5s | 29.212094 | .00139731 |
| 6 | 4s | 70.100665 | -.00005786 |
| 7 | 5s | 4.421191 | -.00005709 |
| ORB.ENERGY,a.u. | -70.886000 |
| NORM | 1.000000 | < R > | .119086 | < R2 > | .018994 | < 1/R > | 12.666749 | < 1/R**2 > | 323.170743 |
Total Energy= -196.55424395 a.u.
Kinetic Energy= 196.55424802 a.u.
Potential Energy= -393.10849197 a.u.
Virial Ratio = -1.99999998