(1s 2 2s 2 5p 1 ) 2 P Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.520621 | 3.45837910 |
| 2 | 3p | 2.364353 | -4.90283940 |
| 3 | 4p | 1.874318 | 5.79753122 |
| 4 | 5p | 1.825812 | -5.41756781 |
| 5 | 2p | 8.067922 | .04953504 |
| 6 | 5p | 8.868331 | .01429369 |
| 7 | 4p | 11.252752 | .01097129 |
| 8 | 5p | 1.415089 | .02182424 |
| ORB.ENERGY,a.u. | -1.701900 | ||
| NORM | 1.000005 | < R > | 3.861577 | < R2 > | 16.782795 | < 1/R > | .378281 | < 1/R**2 > | .506683 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.934033 | .38754791 |
| 2 | 2s | 5.270551 | -.78410094 |
| 3 | 3s | 6.553877 | -.29696244 |
| 4 | 5s | 12.360471 | -.02002751 |
| 5 | 4s | 25.283376 | .00355191 |
| 6 | 5s | 6.237363 | -.00646475 |
| 7 | 5s | 36.302154 | -.00065463 |
| 8 | 4s | 2.251066 | .00066501 |
| 9 | 3s | 1.606087 | -.00056509 |
| ORB.ENERGY,a.u. | -14.135000 | ||
| NORM | 1.000000 | < R > | .524746 | < R2 > | .321735 | < 1/R > | 2.789528 | < 1/R**2 > | 31.365932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.275965 | .94173368 |
| 2 | 1s | 20.284814 | .05591449 |
| 3 | 2s | 13.444714 | .02017531 |
| 4 | 3s | 15.260579 | -.01572205 |
| 5 | 5s | 28.404171 | .00119210 |
| 6 | 4s | 64.090123 | -.00008522 |
| ORB.ENERGY,a.u. | -71.541000 |
| NORM | 1.000000 | < R > | .119033 | < R2 > | .018974 | < 1/R > | 12.670615 | < 1/R**2 > | 323.326559 |
Total Energy= -193.34503678 a.u.
Kinetic Energy= 193.34502155 a.u.
Potential Energy= -386.69005833 a.u.
Virial Ratio = -2.00000008