(1s 2 2s 2 2p 2 4p 1 ) 2 P Al 6+
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 | 5.942557 | .19528286 |
| 2 | 3p | 1.518709 | -.52737763 |
| 3 | 5p | 2.013086 | 1.48423443 |
| 4 | 4p | 57.645493 | -.00005938 |
| 5 | 4p | 3.006748 | -.70788455 |
| 6 | 5p | 7.133948 | .03941751 |
| 7 | 4p | 16.499308 | -.00256606 |
| 8 | 5p | 1.702156 | .19454716 |
| 9 | 5p | 36.963089 | -.00032321 |
| ORB.ENERGY,a.u. | -1.700400 | ||
| NORM | 1.000000 | < R > | 2.963660 | < R2 > | 9.909336 | < 1/R > | .457386 | < 1/R**2 > | .531212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.064720 | 1.26090012 |
| 2 | 3p | 6.667630 | -.30900793 |
| 3 | 4p | 8.207132 | .04807304 |
| 4 | 5p | 2.206455 | .10758910 |
| 5 | 4p | 1.999447 | -.16944780 |
| 6 | 3p | 1.621254 | .08024433 |
| 7 | 5p | 29.057302 | -.00025161 |
| 8 | 3p | 14.455830 | -.00503069 |
| ORB.ENERGY,a.u. | -9.945600 | ||
| NORM | 1.000000 | < R > | .488550 | < R2 > | .293549 | < 1/R > | 2.606523 | < 1/R**2 > | 9.262458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.506939 | .38812637 |
| 2 | 2s | 5.417909 | -.83583924 |
| 3 | 3s | 5.651491 | -.27293081 |
| 4 | 4s | 21.560664 | .00243627 |
| 5 | 3s | 12.425103 | .01720689 |
| 6 | 5s | 5.607690 | -.03975149 |
| 7 | 4s | 1.471785 | .00014225 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554126 | < R2 > | .360581 | < 1/R > | 2.632268 | < 1/R**2 > | 28.172282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158484 | .91998035 |
| 2 | 1s | 18.807653 | .07951225 |
| 3 | 2s | 11.269850 | .01920766 |
| 4 | 3s | 14.402670 | -.01548695 |
| 5 | 5s | 30.679114 | .00111342 |
| 6 | 4s | 73.293135 | -.00003974 |
| 7 | 5s | 9.884204 | .00055561 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119610 | < R2 > | .019198 | < 1/R > | 12.631349 | < 1/R**2 > | 321.772770 |
Total Energy= -215.96100237 a.u.
Kinetic Energy= 215.93021938 a.u.
Potential Energy= -431.89122175 a.u.
Virial Ratio = -2.00014256