(1s 2 2s 2 2p 2 5d 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 1.017215 | 1.60832658 |
| 2 | 4d | .917214 | -3.63981379 |
| 3 | 5d | .779139 | 2.78239964 |
| 4 | 3d | 3.835743 | .02247667 |
| 5 | 4d | .518626 | -.15015275 |
| 6 | 5d | 3.280680 | .01822104 |
| 7 | 4d | 7.919771 | -.00054302 |
| 8 | 5d | .486936 | .03307013 |
| ORB.ENERGY,a.u. | -.328950 | ||
| NORM | 1.000007 | < R > | 8.356142 | < R2 > | 79.384164 | < 1/R > | .168297 | < 1/R**2 > | .060336 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.245349 | .80125209 |
| 2 | 2p | 5.138106 | .22573370 |
| 3 | 2p | 11.784681 | .00802101 |
| 4 | 3p | 2.267759 | .00367999 |
| 5 | 4p | 4.188417 | -.00358866 |
| 6 | 4p | 7.348075 | -.00834964 |
| 7 | 5p | 22.465813 | -.00026356 |
| ORB.ENERGY,a.u. | -4.441600 | ||
| NORM | 1.000000 | < R > | .700086 | < R2 > | .600825 | < 1/R > | 1.833747 | < 1/R**2 > | 4.638508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.185128 | .35214031 |
| 2 | 2s | 3.942305 | -.84209819 |
| 3 | 3s | 3.641413 | -.28012846 |
| 4 | 4s | 11.823025 | .01485985 |
| 5 | 3s | 13.224833 | .00785583 |
| 6 | 5s | 3.489426 | -.00970176 |
| 7 | 5s | 23.827554 | .00068117 |
| 8 | 3s | 2.207396 | .00182876 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767130 | < R2 > | .693854 | < 1/R > | 1.885953 | < 1/R**2 > | 14.481504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709629 | .61348112 |
| 2 | 1s | 13.271839 | .30150372 |
| 3 | 1s | 5.700176 | .00696460 |
| 4 | 2s | 10.366753 | .13445364 |
| 5 | 3s | 10.763519 | -.04344913 |
| 6 | 4s | 18.408442 | .00285966 |
| 7 | 5s | 60.821775 | -.00004110 |
| 8 | 5s | 5.640028 | .00024532 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156991 | < R2 > | .033125 | < 1/R > | 9.641353 | < 1/R**2 > | 187.881779 |
Total Energy= -120.87434820 a.u.
Kinetic Energy= 120.87252284 a.u.
Potential Energy= -241.74687104 a.u.
Virial Ratio = -2.00001510