(1s 2 2s 2 2p 2 5d 1 ) 4 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 1.030135 | 1.50342203 |
| 2 | 4d | .930271 | -3.44125652 |
| 3 | 5d | .782479 | 2.65622829 |
| 4 | 3d | 3.637381 | .03970863 |
| 5 | 4d | .517374 | -.13430960 |
| 6 | 5d | 3.175076 | .02475437 |
| 7 | 5d | .479954 | .02798531 |
| 8 | 4d | 9.044549 | -.00035965 |
| ORB.ENERGY,a.u. | -.331780 | ||
| NORM | 1.000002 | < R > | 8.263045 | < R2 > | 77.724181 | < 1/R > | .171997 | < 1/R**2 > | .065219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 5p | 23.502978 | -.00025151 |
| 2 | 5p | 1.956397 | -.01024323 |
| 3 | 4p | 88.526285 | .00000173 |
| 4 | 2p | 3.233433 | .82836651 |
| 5 | 2p | 5.365104 | .20011956 |
| 6 | 2p | 11.503883 | .00798064 |
| 7 | 3p | 1.515819 | .01456927 |
| 8 | 4p | 3.642766 | -.01559278 |
| ORB.ENERGY,a.u. | -4.444500 | ||
| NORM | 1.000000 | < R > | .700595 | < R2 > | .601781 | < 1/R > | 1.832745 | < 1/R**2 > | 4.634280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.186057 | .35206682 |
| 2 | 2s | 3.941865 | -.84185488 |
| 3 | 3s | 3.645047 | -.27977579 |
| 4 | 4s | 11.817885 | .01465081 |
| 5 | 3s | 13.146973 | .00800064 |
| 6 | 5s | 3.515560 | -.01030318 |
| 7 | 5s | 23.863042 | .00067147 |
| 8 | 3s | 2.235123 | .00186835 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767161 | < R2 > | .693916 | < 1/R > | 1.885883 | < 1/R**2 > | 14.480466 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709443 | .61347689 |
| 2 | 1s | 13.271724 | .30151114 |
| 3 | 1s | 5.743280 | .00692607 |
| 4 | 2s | 10.366606 | .13445724 |
| 5 | 3s | 10.768568 | -.04344896 |
| 6 | 4s | 18.412146 | .00288546 |
| 7 | 5s | 60.985590 | -.00004018 |
| 8 | 5s | 5.712119 | .00026077 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156990 | < R2 > | .033124 | < 1/R > | 9.641390 | < 1/R**2 > | 187.882932 |
Total Energy= -120.87428074 a.u.
Kinetic Energy= 120.87536053 a.u.
Potential Energy= -241.74964127 a.u.
Virial Ratio = -1.99999107