(1s 2 2s 2 2p 5 4d 1 ) 1 F Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | .274778 | 1.55303186 |
| 2 | 4d | .248381 | -2.04159938 |
| 3 | 5d | 3.324835 | .00177446 |
| 4 | 4d | 6.110116 | .00148718 |
| 5 | 3d | .925934 | .00424153 |
| 6 | 5d | 8.428951 | -.00066543 |
| ORB.ENERGY,a.u. | -.031382 | ||
| NORM | 1.000008 | < R > | 20.883755 | < R2 > | 498.887001 | < 1/R > | .063111 | < 1/R**2 > | .006457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.731705 | .13347362 |
| 2 | 2p | 2.548115 | .59163856 |
| 3 | 2p | 4.496550 | .30584882 |
| 4 | 2p | 10.235251 | .01862979 |
| 5 | 4p | 2.135639 | .02940562 |
| 6 | 4p | 10.402225 | .01293438 |
| 7 | 3p | 1.445884 | -.01793498 |
| 8 | 3p | 14.067235 | .00227507 |
| 9 | 5p | 1.416973 | .00218872 |
| ORB.ENERGY,a.u. | -1.347000 | ||
| NORM | 1.000000 | < R > | .875909 | < R2 > | .982115 | < 1/R > | 1.536867 | < 1/R**2 > | 3.420114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.403306 | .30216826 |
| 2 | 2s | 3.730671 | -.78594976 |
| 3 | 3s | 2.881799 | -.34065253 |
| 4 | 4s | 13.319988 | .01541035 |
| 5 | 3s | 23.420110 | .00200799 |
| 6 | 5s | 1.846134 | -.01648283 |
| 7 | 5s | 24.667957 | .00179273 |
| 8 | 4s | 1.497156 | .01880114 |
| 9 | 3s | 1.052310 | -.00382763 |
| 10 | 2s | 50.220617 | .00004470 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860285 | < R2 > | .890298 | < 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 | 9.241473 | .92190570 |
| 2 | 1s | 14.464714 | .08150960 |
| 3 | 2s | 5.553685 | .00857101 |
| 4 | 3s | 13.424094 | -.00702323 |
| 5 | 4s | 19.918799 | .00340856 |
| 6 | 5s | 31.531326 | -.00006513 |
| 7 | 5s | 3.660037 | .00023418 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620053 | < 1/R**2 > | 187.253874 |
Total Energy= -127.84957260 a.u.
Kinetic Energy= 127.84919058 a.u.
Potential Energy= -255.69876318 a.u.
Virial Ratio = -2.00000299