(1s 2 2s 2 2p 3 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 2p- electron | |
| 1 | 2p | 3.031817 | .78746800 |
| 2 | 2p | 5.292749 | .22038106 |
| 3 | 2p | 11.262977 | .00786405 |
| 4 | 3p | 1.964611 | .04287312 |
| 5 | 4p | 1.651806 | -.02157746 |
| 6 | 5p | 24.201985 | -.00025493 |
| 7 | 5p | 1.569244 | .01465069 |
| 8 | 4p | 106.695221 | .00000189 |
| 9 | 3p | 1.111211 | -.00836283 |
| ORB.ENERGY,a.u. | -3.355100 | ||
| NORM | 1.000000 | < R > | .750565 | < R2 > | .698290 | < 1/R > | 1.732429 | < 1/R**2 > | 4.198288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.222569 | .33642159 |
| 2 | 2s | 3.860841 | -.83493275 |
| 3 | 3s | 3.294019 | -.28900149 |
| 4 | 4s | 13.697854 | .00369655 |
| 5 | 3s | 10.196773 | .01725555 |
| 6 | 5s | 5.424754 | -.00414747 |
| 7 | 5s | 26.366327 | .00031039 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .796365 | < R2 > | .751641 | < 1/R > | 1.815471 | < 1/R**2 > | 13.480009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.896466 | .00552723 |
| 2 | 1s | 8.693419 | .61429315 |
| 3 | 1s | 13.287796 | .30119350 |
| 4 | 2s | 10.373885 | .13490181 |
| 5 | 3s | 10.980265 | -.04304120 |
| 6 | 4s | 18.682778 | .00353020 |
| 7 | 5s | 6.341872 | .00077265 |
| 8 | 2s | 72.372032 | .00000392 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157258 | < R2 > | .033266 | < 1/R > | 9.631335 | < 1/R**2 > | 187.584306 |
Total Energy= -124.10289897 a.u.
Kinetic Energy= 123.89879666 a.u.
Potential Energy= -248.00169563 a.u.
Virial Ratio = -2.00164733