(1s 2 2s 2 2p 5 3d 1 ) 1 F Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | .339686 | .97268250 |
| 2 | 3d | 3.617955 | .00131955 |
| 3 | 5d | 1.582186 | .00246826 |
| 4 | 4d | 2.525868 | .00277288 |
| 5 | 5d | .366103 | .03095941 |
| ORB.ENERGY,a.u. | -.055821 | ||
| NORM | 1.000000 | < R > | 10.420205 | < R2 > | 124.263626 | < 1/R > | .112278 | < 1/R**2 > | .015236 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.480887 | .30480871 |
| 2 | 2p | 10.315549 | .01866720 |
| 3 | 4p | 2.264981 | .03159181 |
| 4 | 4p | 10.362119 | .01396100 |
| 5 | 3p | 1.694329 | -.01682982 |
| 6 | 3p | 13.789756 | .00274566 |
| 7 | 2p | 1.732016 | .13523932 |
| 8 | 2p | 2.556115 | .58845137 |
| ORB.ENERGY,a.u. | -1.269900 | ||
| NORM | 1.000000 | < R > | .875931 | < R2 > | .982188 | < 1/R > | 1.536849 | < 1/R**2 > | 3.420057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.333917 | .30595418 |
| 2 | 2s | 3.746873 | -.78258868 |
| 3 | 3s | 2.887081 | -.34724521 |
| 4 | 4s | 12.664568 | .00899603 |
| 5 | 3s | 12.659272 | .00651181 |
| 6 | 5s | 1.904709 | -.02304254 |
| 7 | 5s | 27.417799 | .00026563 |
| 8 | 4s | 1.581383 | .02517655 |
| 9 | 3s | 1.043067 | -.00295895 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860287 | < R2 > | .890306 | < 1/R > | 1.685608 | < 1/R**2 > | 11.736300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241552 | .92188726 |
| 2 | 1s | 14.464504 | .08151489 |
| 3 | 2s | 5.558775 | .00858810 |
| 4 | 3s | 13.413832 | -.00702610 |
| 5 | 4s | 19.903847 | .00340472 |
| 6 | 5s | 31.580183 | -.00006228 |
| 7 | 5s | 3.671899 | .00023604 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033435 | < 1/R > | 9.620055 | < 1/R**2 > | 187.253921 |
Total Energy= -127.87436360 a.u.
Kinetic Energy= 127.87363135 a.u.
Potential Energy= -255.74799495 a.u.
Virial Ratio = -2.00000573