(1s 2 2s 2 2p 1 3d 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3.491313 | .93614910 |
| 2 | 3d | 6.982476 | .03994867 |
| 3 | 4d | 2.939946 | .05124345 |
| 4 | 5d | 21.803602 | -.00024944 |
| 5 | 5d | 2.653457 | -.01233401 |
| 6 | 4d | 53.753496 | .00000488 |
| 7 | 4d | 1.925290 | .00264039 |
| ORB.ENERGY,a.u. | -5.713600 | ||
| NORM | 1.000000 | < R > | 1.000331 | < R2 > | 1.152041 | < 1/R > | 1.178356 | < 1/R**2 > | 1.690489 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.142578 | 1.08688381 |
| 2 | 3p | 7.570812 | -.10782845 |
| 3 | 2p | 13.974921 | .01699377 |
| 4 | 5p | 15.608155 | .00341927 |
| 5 | 4p | 29.708978 | -.00077479 |
| 6 | 5p | 6.047872 | .00815719 |
| 7 | 5p | 90.674127 | -.00001738 |
| ORB.ENERGY,a.u. | -16.431000 | ||
| NORM | 1.000000 | < R > | .398910 | < R2 > | .192989 | < 1/R > | 3.174139 | < 1/R**2 > | 13.654512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.967747 | .37069997 |
| 2 | 2s | 5.639609 | -.80650014 |
| 3 | 3s | 8.230430 | -.28052498 |
| 4 | 4s | 28.316372 | .00120844 |
| 5 | 5s | 16.037979 | -.01123578 |
| 6 | 5s | 6.286715 | .01299951 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458312 | < R2 > | .246012 | < 1/R > | 3.200019 | < 1/R**2 > | 41.444843 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.166047 | .93090760 |
| 2 | 1s | 21.877437 | .06871189 |
| 3 | 2s | 13.021164 | .01916474 |
| 4 | 3s | 16.049495 | -.01652252 |
| 5 | 4s | 74.235978 | -.00006325 |
| 6 | 5s | 34.556817 | .00079828 |
| 7 | 5s | 9.007907 | .00008172 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102967 | < R2 > | .014203 | < 1/R > | 14.648503 | < 1/R**2 > | 432.022633 |
Total Energy= -281.84712739 a.u.
Kinetic Energy= 281.80881629 a.u.
Potential Energy= -563.65594368 a.u.
Virial Ratio = -2.00013595