(1s 2 2s 2 4p 1 ) 2 P Al 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 5.633994 | .35159742 |
| 2 | 3p | 2.424109 | -.88301730 |
| 3 | 5p | 2.516748 | 1.57496900 |
| 4 | 4p | 3.725191 | -.44034722 |
| 5 | 5p | 6.808728 | .04854296 |
| 6 | 4p | 15.289709 | -.00560954 |
| 7 | 5p | 33.146469 | -.00080988 |
| 8 | 4p | 1.904260 | .09041127 |
| 9 | 4p | 50.343863 | -.00016754 |
| ORB.ENERGY,a.u. | -2.695400 | ||
| NORM | 1.000000 | < R > | 2.400206 | < R2 > | 6.530020 | < 1/R > | .599367 | < 1/R**2 > | 1.011193 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.982513 | .38455767 |
| 2 | 2s | 5.187773 | -.79606933 |
| 3 | 3s | 6.616880 | -.28429348 |
| 4 | 5s | 12.361758 | -.02124720 |
| 5 | 4s | 23.645939 | .00437030 |
| 6 | 5s | 34.123775 | -.00063372 |
| 7 | 4s | 17.708106 | -.00222110 |
| 8 | 5s | 3.186572 | .00053664 |
| ORB.ENERGY,a.u. | -13.945000 | ||
| NORM | 1.000000 | < R > | .525302 | < R2 > | .322459 | < 1/R > | 2.786438 | < 1/R**2 > | 31.301816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.280367 | .94228227 |
| 2 | 1s | 20.375991 | .05501150 |
| 3 | 2s | 13.586604 | .02031979 |
| 4 | 3s | 15.443007 | -.01545484 |
| 5 | 5s | 28.525770 | .00124308 |
| 6 | 4s | 65.362186 | -.00007910 |
| ORB.ENERGY,a.u. | -71.332000 |
| NORM | 1.000000 | < R > | .119046 | < R2 > | .018979 | < 1/R > | 12.669660 | < 1/R**2 > | 323.287900 |
Total Energy= -194.33782611 a.u.
Kinetic Energy= 194.33782842 a.u.
Potential Energy= -388.67565453 a.u.
Virial Ratio = -1.99999999