(1s 2 2s 2 2p 2 4d 1 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.082460 | 1.63946769 |
| 2 | 4d | .993195 | -2.11886708 |
| 3 | 3d | 4.558144 | .01177489 |
| 4 | 5d | 2.193786 | -.01253531 |
| 5 | 4d | 9.977807 | -.00020813 |
| 6 | 5d | 19.477782 | -.00000314 |
| ORB.ENERGY,a.u. | -.499910 | ||
| NORM | .999999 | < R > | 5.227202 | < R2 > | 31.321136 | < 1/R > | .254064 | < 1/R**2 > | .106106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.246544 | .80147748 |
| 2 | 2p | 5.140105 | .22671111 |
| 3 | 2p | 11.880330 | .00775486 |
| 4 | 3p | 2.284067 | .00354397 |
| 5 | 4p | 4.101713 | -.00460697 |
| 6 | 4p | 7.473816 | -.00848261 |
| 7 | 5p | 22.255916 | -.00027517 |
| 8 | 5p | .989944 | .00016163 |
| ORB.ENERGY,a.u. | -4.311600 | ||
| NORM | 1.000000 | < R > | .699365 | < R2 > | .599509 | < 1/R > | 1.835322 | < 1/R**2 > | 4.645549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.189109 | .35173651 |
| 2 | 2s | 3.938712 | -.84231529 |
| 3 | 3s | 3.647650 | -.27951263 |
| 4 | 4s | 11.489032 | .01289659 |
| 5 | 3s | 12.836361 | .01081559 |
| 6 | 5s | 3.449848 | -.01710200 |
| 7 | 5s | 37.499855 | -.00023622 |
| 8 | 4s | 2.881845 | .00845945 |
| 9 | 4s | 55.593627 | -.00005873 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767508 | < R2 > | .694648 | < 1/R > | 1.885144 | < 1/R**2 > | 14.470384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.710199 | .61331799 |
| 2 | 1s | 13.272415 | .30138987 |
| 3 | 1s | 5.864667 | .00716881 |
| 4 | 2s | 10.367125 | .13441389 |
| 5 | 3s | 10.775874 | -.04339108 |
| 6 | 4s | 18.428601 | .00289980 |
| 7 | 5s | 60.964996 | -.00003962 |
| 8 | 5s | 5.862750 | .00029164 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156993 | < R2 > | .033126 | < 1/R > | 9.641294 | < 1/R**2 > | 187.880016 |
Total Energy= -121.06134859 a.u.
Kinetic Energy= 121.04348662 a.u.
Potential Energy= -242.10483521 a.u.
Virial Ratio = -2.00014757