(1s 2 2s 2 2p 3 4s 1 ) 3 S Al 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 10.980820 | .07974209 |
| 2 | 2s | 2.331547 | -1.23881030 |
| 3 | 3s | 2.311929 | 2.61332624 |
| 4 | 4s | 1.687635 | -1.79771515 |
| 5 | 5s | 3.387772 | -.19179564 |
| 6 | 4s | 11.311679 | -.02044128 |
| 7 | 5s | 14.704123 | .00398202 |
| 8 | 5s | 55.196561 | -.00005633 |
| 9 | 5s | 1.325690 | .00733943 |
| ORB.ENERGY,a.u. | -1.437600 | ||
| NORM | 1.000001 | < R > | 3.152528 | < R2 > | 11.152873 | < 1/R > | .439855 | < 1/R**2 > | 1.439049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.775696 | 1.38068785 |
| 2 | 3p | 6.163115 | -.48230462 |
| 3 | 4p | 7.571503 | .09574241 |
| 4 | 5p | 21.961344 | -.00255267 |
| 5 | 4p | 3.179116 | .01394416 |
| 6 | 4p | 28.244150 | -.00135397 |
| 7 | 5p | 3.185927 | -.00759730 |
| 8 | 3p | 1.907490 | .00125751 |
| 9 | 3p | 38.491361 | -.00013000 |
| ORB.ENERGY,a.u. | -8.448600 | ||
| NORM | 1.000000 | < R > | .511051 | < R2 > | .319659 | < 1/R > | 2.506366 | < 1/R**2 > | 8.635461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.662567 | .36979041 |
| 2 | 2s | 5.168405 | -.87871002 |
| 3 | 3s | 4.880213 | -.29749774 |
| 4 | 4s | 5.780928 | .05078744 |
| 5 | 3s | 14.292962 | .01656846 |
| 6 | 5s | 1.926618 | -.01452386 |
| 7 | 2s | 39.217618 | .00013162 |
| 8 | 3s | 1.795736 | .01006187 |
| ORB.ENERGY,a.u. | -8.212200 | ||
| NORM | 1.000000 | < R > | .568127 | < R2 > | .380513 | < 1/R > | 2.564486 | < 1/R**2 > | 26.837110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.170383 | .91928193 |
| 2 | 1s | 18.671708 | .07945721 |
| 3 | 2s | 10.763464 | .01803962 |
| 4 | 3s | 15.275919 | -.01478432 |
| 5 | 4s | 23.961337 | .00331488 |
| 6 | 5s | 45.863958 | .00009079 |
| 7 | 5s | 9.044922 | .00085560 |
| 8 | 4s | 1.571161 | .00337967 |
| 9 | 3s | 1.338281 | -.00299616 |
| ORB.ENERGY,a.u. | -62.564000 |
| NORM | 1.000000 | < R > | .119835 | < R2 > | .019291 | < 1/R > | 12.616523 | < 1/R**2 > | 321.190697 |
Total Energy= -224.56936237 a.u.
Kinetic Energy= 224.55437041 a.u.
Potential Energy= -449.12373279 a.u.
Virial Ratio = -2.00006676