(1s 2 2s 2 2p 2 4p 1 ) 4 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 4.085698 | .19470264 |
| 2 | 3p | 1.136182 | -.85118924 |
| 3 | 4p | 1.114018 | 1.99644424 |
| 4 | 5p | 2.872277 | -.23653813 |
| 5 | 2p | 10.702068 | .00253356 |
| 6 | 5p | 1.945409 | -.49527499 |
| 7 | 5p | 26.433629 | -.00007815 |
| ORB.ENERGY,a.u. | -.609770 | ||
| NORM | 1.000002 | < R > | 4.715319 | < R2 > | 25.121954 | < 1/R > | .295390 | < 1/R**2 > | .252707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.253882 | .78887158 |
| 2 | 2p | 5.100658 | .23084570 |
| 3 | 2p | 11.700817 | .00831299 |
| 4 | 3p | 2.443846 | .00844282 |
| 5 | 4p | 7.317142 | -.00826101 |
| 6 | 5p | 1.384447 | -.00075147 |
| 7 | 5p | 22.740261 | -.00025151 |
| ORB.ENERGY,a.u. | -4.336100 | ||
| NORM | 1.000000 | < R > | .700474 | < R2 > | .601652 | < 1/R > | 1.833136 | < 1/R**2 > | 4.636119 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.198196 | .35091350 |
| 2 | 2s | 3.934260 | -.83977164 |
| 3 | 3s | 3.665225 | -.27816616 |
| 4 | 4s | 11.573134 | .01267065 |
| 5 | 3s | 12.864328 | .01049658 |
| 6 | 5s | 3.427850 | -.01510682 |
| 7 | 5s | 38.150108 | -.00021659 |
| 8 | 4s | 2.458420 | .00365559 |
| 9 | 4s | 56.579707 | -.00005298 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767949 | < R2 > | .695453 | < 1/R > | 1.883926 | < 1/R**2 > | 14.452492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.708562 | .61341492 |
| 2 | 1s | 13.271753 | .30150784 |
| 3 | 1s | 5.770546 | .00702085 |
| 4 | 2s | 10.364225 | .13445733 |
| 5 | 3s | 10.772238 | -.04343252 |
| 6 | 4s | 18.429766 | .00285856 |
| 7 | 5s | 60.730554 | -.00004089 |
| 8 | 5s | 5.910760 | .00025966 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157009 | < R2 > | .033134 | < 1/R > | 9.640644 | < 1/R**2 > | 187.860193 |
Total Energy= -121.14315467 a.u.
Kinetic Energy= 121.15323086 a.u.
Potential Energy= -242.29638553 a.u.
Virial Ratio = -1.99991683