(1s 2 2s 2 2p 2 5d 1 ) 2 F Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | .984112 | 1.77071753 |
| 2 | 4d | .887680 | -4.17864752 |
| 3 | 5d | .784075 | 3.11131720 |
| 4 | 3d | 4.121313 | .01541212 |
| 5 | 4d | .489914 | -.07083512 |
| 6 | 5d | 3.368132 | .01186073 |
| 7 | 5d | .465372 | .01912399 |
| 8 | 4d | 8.664592 | -.00028842 |
| ORB.ENERGY,a.u. | -.325150 | ||
| NORM | 1.000003 | < R > | 8.460576 | < R2 > | 81.358777 | < 1/R > | .165679 | < 1/R**2 > | .057741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.247226 | .80176477 |
| 2 | 2p | 5.132140 | .22581658 |
| 3 | 2p | 11.791322 | .00804039 |
| 4 | 3p | 2.319035 | .00399296 |
| 5 | 4p | 4.188598 | -.00424847 |
| 6 | 4p | 7.338663 | -.00882069 |
| 7 | 5p | 22.409357 | -.00026609 |
| ORB.ENERGY,a.u. | -4.437800 | ||
| NORM | 1.000000 | < R > | .699844 | < R2 > | .600377 | < 1/R > | 1.834263 | < 1/R**2 > | 4.640788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.185503 | .35212336 |
| 2 | 2s | 3.942188 | -.84201201 |
| 3 | 3s | 3.642839 | -.28002536 |
| 4 | 4s | 11.819809 | .01484055 |
| 5 | 3s | 13.218362 | .00787016 |
| 6 | 5s | 3.492932 | -.00974604 |
| 7 | 5s | 23.813277 | .00068271 |
| 8 | 3s | 2.189177 | .00170827 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767114 | < R2 > | .693821 | < 1/R > | 1.885991 | < 1/R**2 > | 14.482061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709649 | .61343285 |
| 2 | 1s | 13.272417 | .30146032 |
| 3 | 1s | 5.784489 | .00697546 |
| 4 | 2s | 10.368211 | .13444073 |
| 5 | 3s | 10.773162 | -.04339198 |
| 6 | 4s | 18.416982 | .00289687 |
| 7 | 5s | 61.037094 | -.00003975 |
| 8 | 5s | 5.771750 | .00027184 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156992 | < R2 > | .033125 | < 1/R > | 9.641331 | < 1/R**2 > | 187.881108 |
Total Energy= -120.87405794 a.u.
Kinetic Energy= 120.86871170 a.u.
Potential Energy= -241.74276964 a.u.
Virial Ratio = -2.00004423