(1s 2 2s 2 2p 1 4d 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | .492753 | 2.17309619 |
| 2 | 4d | .493454 | -2.71482379 |
| 3 | 3d | 2.949744 | .00622862 |
| 4 | 5d | 1.620695 | -.00600098 |
| 5 | 5d | .450189 | .02572838 |
| 6 | 4d | 6.776457 | -.00020378 |
| ORB.ENERGY,a.u. | -.123710 | ||
| NORM | .999993 | < R > | 10.591392 | < R2 > | 128.372772 | < 1/R > | .124576 | < 1/R**2 > | .025178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.078025 | .83109815 |
| 2 | 2p | 3.492809 | .18060248 |
| 3 | 2p | 7.907129 | .00922294 |
| 4 | 3p | 4.187158 | -.00458711 |
| 5 | 4p | 1.979241 | .01864295 |
| 6 | 4p | 12.028490 | -.00067263 |
| ORB.ENERGY,a.u. | -1.567400 | ||
| NORM | 1.000000 | < R > | 1.118573 | < R2 > | 1.538018 | < 1/R > | 1.152674 | < 1/R**2 > | 1.845915 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427510 | .26758061 |
| 2 | 2s | 2.001231 | -.76112724 |
| 3 | 3s | 3.458779 | -.27610975 |
| 4 | 4s | 13.229672 | .00222534 |
| 5 | 5s | 7.042726 | -.02379526 |
| 6 | 5s | 2.267857 | .03140051 |
| 7 | 4s | 29.649287 | .00003044 |
| 8 | 4s | 1.867854 | -.00928144 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179713 | < R2 > | 1.645495 | < 1/R > | 1.210641 | < 1/R**2 > | 5.922880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.269726 | .00613361 |
| 2 | 1s | 6.254564 | .70947933 |
| 3 | 1s | 9.332123 | .22642171 |
| 4 | 2s | 7.139610 | .08427739 |
| 5 | 3s | 7.704616 | -.01452646 |
| 6 | 4s | 12.792390 | .00522672 |
| 7 | 5s | 22.120311 | .00018774 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227668 | < R2 > | .069770 | < 1/R > | 6.663920 | < 1/R**2 > | 90.056533 |
Total Energy= -52.94412360 a.u.
Kinetic Energy= 52.93950354 a.u.
Potential Energy= -105.88362714 a.u.
Virial Ratio = -2.00008727