(1s 2 2s 2 2p 2 4d 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | 1.301441 | 1.12958474 |
| 2 | 4d | .995117 | -1.56153916 |
| 3 | 3d | 4.175748 | .02281232 |
| 4 | 5d | 2.234876 | -.06658316 |
| 5 | 4d | 8.538523 | -.00044206 |
| 6 | 5d | .841251 | .01782581 |
| ORB.ENERGY,a.u. | -.521880 | ||
| NORM | 1.000002 | < R > | 4.978762 | < R2 > | 28.481080 | < 1/R > | .270066 | < 1/R**2 > | .123828 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.252125 | .82125370 |
| 2 | 2p | 5.344405 | .19934928 |
| 3 | 2p | 11.396172 | .00833544 |
| 4 | 3p | 1.692587 | .01293434 |
| 5 | 4p | 3.598502 | -.00770461 |
| 6 | 5p | 23.827965 | -.00025759 |
| 7 | 5p | 2.041410 | -.00710231 |
| 8 | 4p | 96.402444 | .00000166 |
| ORB.ENERGY,a.u. | -4.333600 | ||
| NORM | 1.000000 | < R > | .700946 | < R2 > | .602520 | < 1/R > | 1.832125 | < 1/R**2 > | 4.631681 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.186390 | .35186167 |
| 2 | 2s | 3.943255 | -.84047853 |
| 3 | 3s | 3.652282 | -.27918344 |
| 4 | 4s | 11.787869 | .01428282 |
| 5 | 3s | 12.975551 | .00835447 |
| 6 | 5s | 3.555961 | -.01166785 |
| 7 | 5s | 23.922549 | .00065959 |
| 8 | 3s | 1.840168 | .00080205 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767637 | < R2 > | .694917 | < 1/R > | 1.884863 | < 1/R**2 > | 14.466354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.710474 | .61332033 |
| 2 | 1s | 13.272358 | .30138332 |
| 3 | 1s | 5.861897 | .00717182 |
| 4 | 2s | 10.367369 | .13441078 |
| 5 | 3s | 10.774745 | -.04339257 |
| 6 | 4s | 18.425588 | .00290117 |
| 7 | 5s | 60.983618 | -.00003961 |
| 8 | 5s | 5.845993 | .00029113 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156989 | < R2 > | .033124 | < 1/R > | 9.641423 | < 1/R**2 > | 187.883959 |
Total Energy= -121.06352319 a.u.
Kinetic Energy= 121.06547895 a.u.
Potential Energy= -242.12900214 a.u.
Virial Ratio = -1.99998385