(1s 2 2s 2 2p 2 3d 1 ) 4 P Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 2.463492 | 1.09381259 |
| 2 | 3d | 6.348925 | .02033816 |
| 3 | 4d | 3.159424 | -.11051923 |
| 4 | 5d | 16.735125 | -.00036520 |
| 5 | 5d | 2.254931 | .00899177 |
| ORB.ENERGY,a.u. | -2.831300 | ||
| NORM | 1.000000 | < R > | 1.414383 | < R2 > | 2.305219 | < 1/R > | .834989 | < 1/R**2 > | .852151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.826619 | 1.20517788 |
| 2 | 3p | 5.805307 | -.22515135 |
| 3 | 2p | 13.177495 | .01686236 |
| 4 | 4p | 15.572072 | .00524985 |
| 5 | 5p | 2.186421 | -.00012354 |
| 6 | 5p | 23.232772 | -.00114821 |
| 7 | 4p | 64.526278 | .00001978 |
| ORB.ENERGY,a.u. | -9.541700 | ||
| NORM | 1.000000 | < R > | .491673 | < R2 > | .294529 | < 1/R > | 2.591129 | < 1/R**2 > | 9.171660 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.524653 | .38641121 |
| 2 | 2s | 5.401827 | -.83499395 |
| 3 | 3s | 5.601810 | -.27301234 |
| 4 | 4s | 20.857441 | .00256958 |
| 5 | 3s | 12.967538 | .01458589 |
| 6 | 5s | 5.430388 | -.03764645 |
| 7 | 4s | 2.104155 | -.00009501 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .555426 | < R2 > | .362585 | < 1/R > | 2.626986 | < 1/R**2 > | 28.071153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.159672 | .91996494 |
| 2 | 1s | 18.806584 | .07951156 |
| 3 | 2s | 11.310061 | .01918057 |
| 4 | 3s | 14.398157 | -.01548765 |
| 5 | 5s | 30.703982 | .00111293 |
| 6 | 4s | 73.229367 | -.00004062 |
| 7 | 5s | 9.684545 | .00058217 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119591 | < R2 > | .019191 | < 1/R > | 12.632701 | < 1/R**2 > | 321.827512 |
Total Energy= -217.07663743 a.u.
Kinetic Energy= 217.06189912 a.u.
Potential Energy= -434.13853655 a.u.
Virial Ratio = -2.00006790