(1s 2 2s 2 2p 5 5d 1 ) 1 F Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | .203503 | 3.37357640 |
| 2 | 4d | .201459 | -8.56161808 |
| 3 | 5d | .201387 | 5.81421757 |
| 4 | 4d | .998401 | .00380794 |
| 5 | 3d | 2.289994 | .00332317 |
| 6 | 5d | 3.923431 | -.00089844 |
| 7 | 5d | .171369 | .07281084 |
| ORB.ENERGY,a.u. | -.020073 | ||
| NORM | .999959 | < R > | 34.348995 | < R2 > | 1339.043369 | < 1/R > | .040340 | < 1/R**2 > | .003311 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.731453 | .13331295 |
| 2 | 2p | 2.547902 | .59168062 |
| 3 | 2p | 4.496331 | .30592373 |
| 4 | 2p | 10.231136 | .01864902 |
| 5 | 4p | 2.136627 | .02918428 |
| 6 | 4p | 10.401904 | .01292168 |
| 7 | 3p | 1.442762 | -.01767273 |
| 8 | 3p | 14.073010 | .00226513 |
| 9 | 5p | 1.416946 | .00216135 |
| ORB.ENERGY,a.u. | -1.382700 | ||
| NORM | 1.000000 | < R > | .875898 | < R2 > | .982078 | < 1/R > | 1.536876 | < 1/R**2 > | 3.420141 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.418752 | .30133760 |
| 2 | 2s | 3.730138 | -.78597306 |
| 3 | 3s | 2.882045 | -.34038254 |
| 4 | 4s | 13.268149 | .01587801 |
| 5 | 3s | 22.770432 | .00241367 |
| 6 | 5s | 1.834950 | -.01557478 |
| 7 | 5s | 24.148565 | .00186736 |
| 8 | 4s | 1.480437 | .01778339 |
| 9 | 3s | 1.042180 | -.00380712 |
| 10 | 2s | 45.741119 | .00006926 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860283 | < R2 > | .890292 | < 1/R > | 1.685609 | < 1/R**2 > | 11.736284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241491 | .92191338 |
| 2 | 1s | 14.465323 | .08149924 |
| 3 | 2s | 5.557026 | .00858209 |
| 4 | 3s | 13.413218 | -.00702950 |
| 5 | 4s | 19.903942 | .00340101 |
| 6 | 5s | 31.657926 | -.00006123 |
| 7 | 5s | 3.667912 | .00023540 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620053 | < 1/R**2 > | 187.253883 |
Total Energy= -127.83812606 a.u.
Kinetic Energy= 127.83789673 a.u.
Potential Energy= -255.67602279 a.u.
Virial Ratio = -2.00000179