(1s 2 2s 2 2p 1 3p 1 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p | 1.874690 | -1.22612576 |
| 2 | 2p | 2.593840 | .36350871 |
| 3 | 2p | 8.209508 | .00936139 |
| 4 | 4p | 7.075555 | .00464137 |
| 5 | 5p | 7.525364 | -.01072062 |
| ORB.ENERGY,a.u. | -1.688300 | ||
| NORM | 1.000000 | < R > | 2.079280 | < R2 > | 4.795504 | < 1/R > | .545999 | < 1/R**2 > | .384888 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.812264 | .70904667 |
| 2 | 2p | 4.451149 | .32044217 |
| 3 | 2p | 14.920902 | .00464885 |
| 4 | 3p | 1.827508 | -.25991745 |
| 5 | 4p | 4.003443 | .10851832 |
| 6 | 4p | 7.648817 | -.02308757 |
| 7 | 3p | 17.046702 | .00117081 |
| 8 | 5p | 1.722469 | .00383957 |
| ORB.ENERGY,a.u. | -5.234000 | ||
| NORM | 1.000000 | < R > | .638054 | < R2 > | .556331 | < 1/R > | 2.033310 | < 1/R**2 > | 5.582981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.835812 | .32514319 |
| 2 | 2s | 3.406098 | -.80144620 |
| 3 | 3s | 5.086093 | -.28116173 |
| 4 | 4s | 17.436503 | .00341877 |
| 5 | 5s | 9.557084 | -.01503034 |
| 6 | 5s | 7.340028 | .01443221 |
| 7 | 4s | 35.388968 | .00008677 |
| 8 | 4s | 3.923929 | .02045665 |
| 9 | 3s | 1.242143 | -.00020764 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .742641 | < R2 > | .648167 | < 1/R > | 1.951626 | < 1/R**2 > | 15.446916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.506520 | .00177812 |
| 2 | 1s | 9.269177 | .89068055 |
| 3 | 1s | 13.722843 | .10425241 |
| 4 | 2s | 7.439129 | .01436792 |
| 5 | 3s | 10.619699 | -.00748530 |
| 6 | 4s | 18.350140 | .00411218 |
| 7 | 5s | 10.021717 | -.00117902 |
| 8 | 5s | 34.197250 | .00013345 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156695 | < R2 > | .032969 | < 1/R > | 9.652538 | < 1/R**2 > | 188.214611 |
Total Energy= -117.61160667 a.u.
Kinetic Energy= 117.59875104 a.u.
Potential Energy= -235.21035770 a.u.
Virial Ratio = -2.00010932