(1s 2 2s 2 5d 1 ) 2 D Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.629600 | 1.27303681 |
| 2 | 4d | 1.245242 | -4.52564973 |
| 3 | 5d | 1.196979 | 4.05744460 |
| 4 | 3d | 3.873132 | .02517981 |
| 5 | 4d | .832758 | -.08838162 |
| 6 | 5d | 23.312859 | .00013445 |
| 7 | 4d | 7.633605 | .00237971 |
| 8 | 4d | 39.708815 | .00002117 |
| 9 | 5d | .727866 | .01074248 |
| ORB.ENERGY,a.u. | -.735720 | ||
| NORM | 1.000001 | < R > | 5.612363 | < R2 > | 35.768809 | < 1/R > | .248541 | < 1/R**2 > | .128431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.608801 | .35331751 |
| 2 | 2s | 3.767145 | -.77753929 |
| 3 | 3s | 4.892349 | -.28110378 |
| 4 | 5s | 9.492179 | -.02451953 |
| 5 | 4s | 19.285296 | .00437437 |
| 6 | 5s | 27.379708 | -.00084734 |
| 7 | 4s | 2.154047 | .00352755 |
| 8 | 3s | 1.812772 | -.00373953 |
| ORB.ENERGY,a.u. | -7.230600 | ||
| NORM | 1.000000 | < R > | .712523 | < R2 > | .593870 | < 1/R > | 2.038325 | < 1/R**2 > | 16.752727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.287470 | .88735191 |
| 2 | 1s | 13.565761 | .10833764 |
| 3 | 2s | 7.617981 | .01478925 |
| 4 | 3s | 8.713423 | -.00856851 |
| 5 | 4s | 19.101726 | .00379624 |
| 6 | 5s | 12.423423 | -.00004782 |
| ORB.ENERGY,a.u. | -40.137000 |
| NORM | 1.000000 | < R > | .156175 | < R2 > | .032704 | < 1/R > | 9.673039 | < 1/R**2 > | 188.833222 |
Total Energy= -110.84831141 a.u.
Kinetic Energy= 110.84671080 a.u.
Potential Energy= -221.69502220 a.u.
Virial Ratio = -2.00001444