(1s 2 2s 2 2p 2 3p 1 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 1.541068 | -1.18652934 |
| 2 | 2p | 2.390396 | .38747169 |
| 3 | 2p | 6.450969 | .04787548 |
| 4 | 4p | 8.058724 | .01063430 |
| 5 | 5p | 4.238279 | -.01297927 |
| 6 | 5p | 1.046556 | -.00031446 |
| ORB.ENERGY,a.u. | -1.135100 | ||
| NORM | 1.000000 | < R > | 2.491606 | < R2 > | 6.958538 | < 1/R > | .490106 | < 1/R**2 > | .428112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.311272 | .85271829 |
| 2 | 2p | 5.552738 | .17336989 |
| 3 | 2p | 11.872804 | .00688974 |
| 4 | 3p | 3.645353 | .00470160 |
| 5 | 4p | 1.763844 | -.04976230 |
| 6 | 5p | 22.780104 | -.00024942 |
| 7 | 5p | .954243 | -.00029476 |
| ORB.ENERGY,a.u. | -4.046500 | ||
| NORM | 1.000000 | < R > | .685456 | < R2 > | .573372 | < 1/R > | 1.858646 | < 1/R**2 > | 4.736095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.202437 | .34974556 |
| 2 | 2s | 3.925681 | -.83736698 |
| 3 | 3s | 3.663101 | -.27794479 |
| 4 | 4s | 11.508788 | .01038269 |
| 5 | 3s | 12.248460 | .01174221 |
| 6 | 5s | 3.428121 | -.01393510 |
| 7 | 5s | 36.554712 | -.00005819 |
| 8 | 3s | 27.395978 | -.00022675 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .769982 | < R2 > | .699588 | < 1/R > | 1.879149 | < 1/R**2 > | 14.384780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.707088 | .61329230 |
| 2 | 1s | 13.272411 | .30148471 |
| 3 | 1s | 5.887481 | .00710990 |
| 4 | 2s | 10.363063 | .13445212 |
| 5 | 3s | 10.789127 | -.04337364 |
| 6 | 4s | 18.442972 | .00288599 |
| 7 | 5s | 61.005743 | -.00003947 |
| 8 | 5s | 6.411553 | .00031084 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157036 | < R2 > | .033147 | < 1/R > | 9.639585 | < 1/R**2 > | 187.828327 |
Total Energy= -121.69460353 a.u.
Kinetic Energy= 121.67842436 a.u.
Potential Energy= -243.37302788 a.u.
Virial Ratio = -2.00013297