(1s 2 2s 2 2p 4 4d 1 ) 4 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | .616975 | 1.27384115 |
| 2 | 4d | .502366 | -1.68778849 |
| 3 | 3d | 2.404231 | .04507481 |
| 4 | 5d | 1.053388 | -.07234655 |
| 5 | 4d | 3.088307 | -.01701431 |
| 6 | 5d | 23.019485 | .00001446 |
| ORB.ENERGY,a.u. | -.129340 | ||
| NORM | .999999 | < R > | 10.036087 | < R2 > | 115.880231 | < 1/R > | .134795 | < 1/R**2 > | .031470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.641007 | .66766687 |
| 2 | 2p | 4.478999 | .37656218 |
| 3 | 2p | 11.041713 | .01112061 |
| 4 | 3p | 1.903147 | .03522428 |
| 5 | 4p | 6.568752 | -.02992688 |
| 6 | 4p | 1.883629 | -.00888162 |
| 7 | 5p | 22.986166 | -.00017086 |
| ORB.ENERGY,a.u. | -2.103000 | ||
| NORM | 1.000000 | < R > | .805067 | < R2 > | .813800 | < 1/R > | 1.638071 | < 1/R**2 > | 3.808527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.312192 | .31827783 |
| 2 | 2s | 3.749973 | -.82053410 |
| 3 | 3s | 3.035266 | -.30605580 |
| 4 | 4s | 13.023835 | .01363056 |
| 5 | 3s | 16.587582 | .00282313 |
| 6 | 5s | 25.691687 | .00049781 |
| 7 | 5s | 1.994703 | -.00860312 |
| 8 | 3s | 1.550491 | .01235040 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828328 | < R2 > | .818732 | < 1/R > | 1.746595 | < 1/R**2 > | 12.537157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241376 | .89816405 |
| 2 | 1s | 13.939692 | .09919394 |
| 3 | 1s | 2.717990 | -.00001228 |
| 4 | 2s | 6.897240 | .01560531 |
| 5 | 3s | 10.745155 | -.00729257 |
| 6 | 4s | 18.601181 | .00283049 |
| 7 | 5s | 61.132637 | -.00003587 |
| 8 | 5s | 5.177186 | .00051800 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033371 | < 1/R > | 9.624184 | < 1/R**2 > | 187.373937 |
Total Energy= -126.49983432 a.u.
Kinetic Energy= 126.50145475 a.u.
Potential Energy= -253.00128908 a.u.
Virial Ratio = -1.99998719