(1s 2 2s 2 2p 6 5p 1 ) 2 P Al 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 7.120870 | .03243477 |
| 2 | 2p | 3.337435 | .07946672 |
| 3 | 3p | 1.246406 | -.74711464 |
| 4 | 4p | .785094 | 2.52286418 |
| 5 | 5p | .692824 | -2.51124834 |
| 6 | 5p | 9.719579 | .00341570 |
| 7 | 4p | 24.830758 | -.00018668 |
| ORB.ENERGY,a.u. | -.230940 | ||
| NORM | 1.000000 | < R > | 9.453688 | < R2 > | 100.558383 | < 1/R > | .149538 | < 1/R**2 > | .087409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.147252 | .54205866 |
| 2 | 3p | 4.659032 | .45371788 |
| 3 | 4p | 3.770974 | .10120927 |
| 4 | 5p | 4.450442 | .00728166 |
| 5 | 2p | 13.765512 | .01121284 |
| 6 | 5p | 10.926796 | -.00858768 |
| 7 | 4p | 45.691746 | .00003244 |
| 8 | 4p | 2.954818 | .00327966 |
| 9 | 3p | 66.299867 | .00000452 |
| ORB.ENERGY,a.u. | -3.834300 | ||
| NORM | 1.000000 | < R > | .596246 | < R2 > | .447255 | < 1/R > | 2.215386 | < 1/R**2 > | 6.968468 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.769839 | .33364964 |
| 2 | 4s | 1.908257 | -.00657325 |
| 3 | 2s | 5.101710 | -.79955542 |
| 4 | 3s | 4.167715 | -.32979983 |
| 5 | 4s | 17.437564 | .01124030 |
| 6 | 3s | 27.900873 | .00211302 |
| 7 | 5s | 30.418572 | .00126346 |
| 8 | 5s | 2.104090 | .00521270 |
| 9 | 2s | 54.172983 | .00006801 |
| ORB.ENERGY,a.u. | -5.537100 | ||
| NORM | 1.000000 | < R > | .619542 | < R2 > | .457884 | < 1/R > | 2.349956 | < 1/R**2 > | 22.810295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586459 | 1.01575320 |
| 2 | 2s | 17.934869 | -.02459232 |
| 3 | 3s | 8.794075 | .02360635 |
| 4 | 4s | 40.371197 | -.00023235 |
| 5 | 4s | 30.196391 | .00036111 |
| 6 | 2s | 63.460970 | .00003234 |
| 7 | 5s | 10.839032 | -.00898150 |
| 8 | 3s | 4.336906 | .00028028 |
| 9 | 2s | 166.963928 | -.00000010 |
| ORB.ENERGY,a.u. | -58.530000 |
| NORM | 1.000000 | < R > | .120258 | < R2 > | .019459 | < 1/R > | 12.589342 | < 1/R**2 > | 320.135105 |
Total Energy= -240.23125238 a.u.
Kinetic Energy= 240.23125244 a.u.
Potential Energy= -480.46250481 a.u.
Virial Ratio = -2.00000000