(1s 2 2s 2 2p 1 4p 1 ) 3 P Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 2.849708 | .28580898 |
| 2 | 3p | 1.360970 | -2.61333898 |
| 3 | 4p | 1.356303 | 2.73243990 |
| 4 | 5p | 6.601933 | -.01464572 |
| 5 | 2p | 8.615086 | .00733349 |
| 6 | 5p | 1.670407 | .25048477 |
| ORB.ENERGY,a.u. | -.898980 | ||
| NORM | 1.000000 | < R > | 3.988984 | < R2 > | 17.943088 | < 1/R > | .321109 | < 1/R**2 > | .197744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.615901 | .94252594 |
| 2 | 2p | 7.695849 | .07450405 |
| 3 | 3p | 1.366426 | -.17193399 |
| 4 | 5p | 1.605346 | .13491941 |
| 5 | 4p | 8.319258 | .02833467 |
| 6 | 4p | 1.241276 | .08489063 |
| 7 | 5p | 25.467423 | -.00019483 |
| ORB.ENERGY,a.u. | -5.474400 | ||
| NORM | 1.000000 | < R > | .672528 | < R2 > | .661117 | < 1/R > | 1.953899 | < 1/R**2 > | 5.210703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.891933 | .32323804 |
| 2 | 2s | 3.360184 | -.79309106 |
| 3 | 3s | 5.253261 | -.27157073 |
| 4 | 4s | 17.927723 | .00250761 |
| 5 | 5s | 10.315262 | -.01443108 |
| 6 | 5s | 3.789863 | .02080906 |
| 7 | 4s | 36.090463 | .00005402 |
| 8 | 5s | 1.571607 | .00027036 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739781 | < R2 > | .642557 | < 1/R > | 1.958775 | < 1/R**2 > | 15.550478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.070162 | .00007781 |
| 2 | 1s | 9.269618 | .89187294 |
| 3 | 1s | 13.713727 | .10446558 |
| 4 | 2s | 7.418245 | .01507849 |
| 5 | 3s | 10.906486 | -.00731111 |
| 6 | 4s | 18.674453 | .00414903 |
| 7 | 5s | 10.330266 | -.00190284 |
| 8 | 5s | 36.728676 | .00008111 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156652 | < R2 > | .032948 | < 1/R > | 9.654268 | < 1/R**2 > | 188.267247 |
Total Energy= -116.80773087 a.u.
Kinetic Energy= 116.80964212 a.u.
Potential Energy= -233.61737299 a.u.
Virial Ratio = -1.99998364