(1s 2 2s 2 2p 1 4d 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | .601102 | 1.28137283 |
| 2 | 4d | .491643 | -1.71593218 |
| 3 | 3d | 2.298765 | .02057171 |
| 4 | 5d | 1.138636 | -.04413867 |
| 5 | 4d | 14.013487 | .00002182 |
| 6 | 5d | .367119 | .00570240 |
| ORB.ENERGY,a.u. | -.126530 | ||
| NORM | .999998 | < R > | 10.274819 | < R2 > | 121.361642 | < 1/R > | .130858 | < 1/R**2 > | .028987 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.082448 | .83506906 |
| 2 | 2p | 3.531708 | .16946106 |
| 3 | 2p | 7.782081 | .00998957 |
| 4 | 3p | 1.206083 | -.00233630 |
| 5 | 4p | 1.874208 | .02511968 |
| 6 | 4p | 12.231775 | -.00068863 |
| ORB.ENERGY,a.u. | -1.570200 | ||
| NORM | 1.000000 | < R > | 1.121968 | < R2 > | 1.549131 | < 1/R > | 1.150285 | < 1/R**2 > | 1.839665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.428138 | .26752617 |
| 2 | 2s | 1.999953 | -.76143141 |
| 3 | 3s | 3.461505 | -.27615459 |
| 4 | 4s | 13.214480 | .00223796 |
| 5 | 5s | 7.042218 | -.02371258 |
| 6 | 5s | 2.275843 | .03125190 |
| 7 | 4s | 29.500134 | .00003109 |
| 8 | 4s | 1.881842 | -.00887429 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179851 | < R2 > | 1.645994 | < 1/R > | 1.210556 | < 1/R**2 > | 5.922221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.269541 | .00612744 |
| 2 | 1s | 6.254789 | .70953953 |
| 3 | 1s | 9.332053 | .22637626 |
| 4 | 2s | 7.139240 | .08426034 |
| 5 | 3s | 7.702216 | -.01452270 |
| 6 | 4s | 12.789647 | .00522431 |
| 7 | 5s | 22.105727 | .00018925 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227665 | < R2 > | .069767 | < 1/R > | 6.663977 | < 1/R**2 > | 90.057725 |
Total Energy= -52.94475875 a.u.
Kinetic Energy= 52.94232212 a.u.
Potential Energy= -105.88708087 a.u.
Virial Ratio = -2.00004602