(1s 2 2s 2 2p 2 4p 1 ) 2 D Al 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 5.957977 | .20105729 |
| 2 | 3p | 1.486575 | -.50332347 |
| 3 | 5p | 2.025804 | 1.46377515 |
| 4 | 4p | 61.751557 | -.00004601 |
| 5 | 4p | 3.044832 | -.71897895 |
| 6 | 5p | 7.359768 | .03447913 |
| 7 | 4p | 17.596923 | -.00234795 |
| 8 | 5p | 1.695422 | .20611087 |
| 9 | 5p | 39.776339 | -.00024305 |
| ORB.ENERGY,a.u. | -1.716500 | ||
| NORM | 1.000000 | < R > | 2.936888 | < R2 > | 9.735585 | < 1/R > | .464400 | < 1/R**2 > | .557501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.049213 | 1.26949215 |
| 2 | 3p | 6.758598 | -.32926572 |
| 3 | 4p | 8.677580 | .06019182 |
| 4 | 5p | 2.057276 | .06275371 |
| 5 | 4p | 1.897419 | -.04686448 |
| 6 | 5p | 25.790900 | -.00095427 |
| 7 | 3p | 22.591074 | -.00080827 |
| 8 | 3p | .887736 | .00045730 |
| 9 | 4p | 70.244863 | .00001571 |
| ORB.ENERGY,a.u. | -9.961700 | ||
| NORM | 1.000000 | < R > | .488927 | < R2 > | .293491 | < 1/R > | 2.604488 | < 1/R**2 > | 9.250183 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.505189 | .38821449 |
| 2 | 2s | 5.419505 | -.83578831 |
| 3 | 3s | 5.652142 | -.27295075 |
| 4 | 4s | 21.569353 | .00243272 |
| 5 | 3s | 12.411866 | .01731961 |
| 6 | 5s | 5.612407 | -.04005626 |
| 7 | 4s | 1.488257 | .00014640 |
| ORB.ENERGY,a.u. | -9.388200 | ||
| NORM | 1.000000 | < R > | .554138 | < R2 > | .360598 | < 1/R > | 2.632209 | < 1/R**2 > | 28.171087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.158484 | .91998560 |
| 2 | 1s | 18.808080 | .07950702 |
| 3 | 2s | 11.270857 | .01920699 |
| 4 | 3s | 14.402810 | -.01548697 |
| 5 | 5s | 30.678940 | .00111321 |
| 6 | 4s | 73.282161 | -.00003967 |
| 7 | 5s | 9.889619 | .00055554 |
| ORB.ENERGY,a.u. | -64.512000 |
| NORM | 1.000000 | < R > | .119610 | < R2 > | .019198 | < 1/R > | 12.631354 | < 1/R**2 > | 321.772947 |
Total Energy= -215.96229318 a.u.
Kinetic Energy= 215.94627721 a.u.
Potential Energy= -431.90857039 a.u.
Virial Ratio = -2.00007417