(1s 2 2s 2 2p 4 3d 1 ) 4 F P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | 2.523537 | 1.12179227 |
| 2 | 3d | 6.416197 | .04004647 |
| 3 | 4d | 3.192616 | -.15642471 |
| 4 | 5d | 2.395973 | .01837974 |
| 5 | 4d | 42.676137 | .00001452 |
| ORB.ENERGY,a.u. | -2.871000 | ||
| NORM | 1.000000 | < R > | 1.370747 | < R2 > | 2.178861 | < 1/R > | .869894 | < 1/R**2 > | .938475 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.106910 | 1.18794215 |
| 2 | 3p | 5.934148 | -.26039909 |
| 3 | 2p | 11.582923 | .06663152 |
| 4 | 4p | 13.571832 | .01353044 |
| 5 | 5p | 4.306612 | .00229223 |
| 6 | 3p | 44.178019 | .00003400 |
| ORB.ENERGY,a.u. | -10.399000 | ||
| NORM | 1.000000 | < R > | .442665 | < R2 > | .240863 | < 1/R > | 2.905701 | < 1/R**2 > | 11.648601 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.009014 | .38708770 |
| 2 | 2s | 6.272898 | -.84637005 |
| 3 | 3s | 5.683160 | -.29845524 |
| 4 | 4s | 16.479271 | .00890395 |
| 5 | 3s | 19.675584 | .00585754 |
| 6 | 5s | 29.535478 | .00094983 |
| 7 | 5s | 5.301730 | -.00610015 |
| 8 | 3s | 47.276020 | -.00008741 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .490624 | < R2 > | .283896 | < 1/R > | 2.978208 | < 1/R**2 > | 36.293823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.211226 | .92279439 |
| 2 | 1s | 20.928789 | .07367174 |
| 3 | 2s | 8.793168 | .02033024 |
| 4 | 3s | 10.798637 | -.02027972 |
| 5 | 4s | 13.368592 | .00938545 |
| 6 | 5s | 36.103096 | .00086699 |
| 7 | 4s | 85.210369 | -.00003197 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103531 | < R2 > | .014394 | < 1/R > | 14.597527 | < 1/R**2 > | 429.694361 |
Total Energy= -319.54831834 a.u.
Kinetic Energy= 319.55918144 a.u.
Potential Energy= -639.10749978 a.u.
Virial Ratio = -1.99996601