(1s 2 2s 2 2p 3 5d 1 ) 3 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | .771414 | 1.52784053 |
| 2 | 4d | .643868 | -4.19556858 |
| 3 | 5d | .586908 | 3.46609103 |
| 4 | 3d | 3.776667 | .00981990 |
| 5 | 4d | .394517 | -.12385774 |
| 6 | 5d | 3.006030 | .00692776 |
| 7 | 5d | .359541 | .02271655 |
| 8 | 5d | 26.577675 | .00001009 |
| ORB.ENERGY,a.u. | -.181830 | ||
| NORM | .999999 | < R > | 11.354457 | < R2 > | 146.486905 | < 1/R > | .123176 | < 1/R**2 > | .031748 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.005037 | .76595411 |
| 2 | 2p | 4.929833 | .24483073 |
| 3 | 2p | 9.979210 | .01635360 |
| 4 | 3p | 3.166185 | -.00244948 |
| 5 | 4p | 2.724833 | .01230155 |
| 6 | 5p | 12.569611 | .00267598 |
| ORB.ENERGY,a.u. | -3.407600 | ||
| NORM | 1.000000 | < R > | .742811 | < R2 > | .682085 | < 1/R > | 1.744980 | < 1/R**2 > | 4.245394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.242905 | .33470054 |
| 2 | 2s | 3.861697 | -.82459559 |
| 3 | 3s | 3.277808 | -.28586749 |
| 4 | 4s | 12.362671 | .01449851 |
| 5 | 3s | 14.738879 | .00475855 |
| 6 | 5s | 24.326577 | .00061256 |
| 7 | 5s | 5.350764 | -.01063324 |
| 8 | 4s | 6.780898 | -.00539423 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .797418 | < R2 > | .753747 | < 1/R > | 1.812962 | < 1/R**2 > | 13.444561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 8.857402 | .00187278 |
| 2 | 5s | 19.113623 | -.00259856 |
| 3 | 3s | 4.169143 | .00055503 |
| 4 | 1s | 9.118952 | .89085232 |
| 5 | 1s | 14.392419 | .10770663 |
| 6 | 2s | 10.043533 | .02278881 |
| 7 | 3s | 11.832604 | -.02135206 |
| 8 | 4s | 16.931668 | .00765824 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157274 | < R2 > | .033274 | < 1/R > | 9.630745 | < 1/R**2 > | 187.566766 |
Total Energy= -124.28937168 a.u.
Kinetic Energy= 124.28604321 a.u.
Potential Energy= -248.57541489 a.u.
Virial Ratio = -2.00002678