(1s 2 2s 2 2p 1 3p 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 2.590711 | .35251361 |
| 2 | 3p | 1.892591 | -1.22424351 |
| 3 | 2p | 7.475223 | .01420881 |
| 4 | 4p | 8.162017 | .00550002 |
| 5 | 5p | 7.068284 | -.00421064 |
| ORB.ENERGY,a.u. | -1.713700 | ||
| NORM | 1.000000 | < R > | 2.055907 | < R2 > | 4.691287 | < 1/R > | .553147 | < 1/R**2 > | .397665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.993922 | .97769428 |
| 2 | 2p | 9.936396 | .02036500 |
| 3 | 3p | 1.881990 | -.27813768 |
| 4 | 4p | 3.956229 | .14293730 |
| 5 | 5p | 12.552445 | .00399220 |
| ORB.ENERGY,a.u. | -5.259400 | ||
| NORM | 1.000000 | < R > | .640085 | < R2 > | .563169 | < 1/R > | 2.031986 | < 1/R**2 > | 5.579077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.835999 | .32508298 |
| 2 | 2s | 3.405542 | -.80146908 |
| 3 | 3s | 5.090405 | -.28068856 |
| 4 | 4s | 17.394986 | .00344758 |
| 5 | 5s | 9.578686 | -.01465745 |
| 6 | 5s | 7.310851 | .01410619 |
| 7 | 4s | 35.065338 | .00009043 |
| 8 | 4s | 3.916655 | .01986893 |
| 9 | 3s | 1.242929 | -.00020248 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .742758 | < R2 > | .648394 | < 1/R > | 1.951331 | < 1/R**2 > | 15.442534 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269622 | .89182338 |
| 2 | 1s | 13.727615 | .10424980 |
| 3 | 1s | .915564 | -.00003324 |
| 4 | 2s | 7.433479 | .01539216 |
| 5 | 3s | 9.800039 | -.00793364 |
| 6 | 4s | 17.968531 | .00339836 |
| 7 | 5s | 9.319867 | -.00044607 |
| 8 | 5s | 29.580967 | .00032599 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156695 | < R2 > | .032969 | < 1/R > | 9.652531 | < 1/R**2 > | 188.214404 |
Total Energy= -117.61184552 a.u.
Kinetic Energy= 117.62416389 a.u.
Potential Energy= -235.23600941 a.u.
Virial Ratio = -1.99989527