(1s 2 2s 2 2p 1 4d 1 ) 1 P C 0
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 | .208664 | 3.71470041 |
| 2 | 4d | .235449 | -4.43217946 |
| 3 | 4d | .165892 | -.14083380 |
| 4 | 3d | 3.482746 | .00477429 |
| 5 | 5d | 1.160534 | -.00612741 |
| 6 | 5d | .224085 | .23417414 |
| 7 | 4d | 4.656378 | -.00339392 |
| 8 | 5d | 10.084888 | -.00013903 |
| 9 | 3d | 7.447320 | -.00033477 |
| 10 | 5d | .133779 | .01212271 |
| ORB.ENERGY,a.u. | -.030773 | ||
| NORM | .999985 | < R > | 21.356526 | < R2 > | 520.914396 | < 1/R > | .061271 | < 1/R**2 > | .005970 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.587251 | .79771069 |
| 2 | 2p | 2.533302 | .24286412 |
| 3 | 2p | 6.497083 | .01080862 |
| 4 | 3p | 2.733990 | -.05077424 |
| 5 | 4p | 1.531962 | .04422482 |
| 6 | 4p | 10.493235 | -.00064109 |
| ORB.ENERGY,a.u. | -.786180 | ||
| NORM | 1.000000 | < R > | 1.470668 | < R2 > | 2.681034 | < 1/R > | .885870 | < 1/R**2 > | 1.104669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.580066 | .24030779 |
| 2 | 2s | 1.552559 | -.76087035 |
| 3 | 3s | 2.861855 | -.27232019 |
| 4 | 4s | 11.716132 | .00196272 |
| 5 | 5s | 5.912967 | -.02901204 |
| 6 | 5s | 1.869318 | .02776271 |
| 7 | 2s | 39.484200 | -.00000298 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475738 | < R2 > | 2.590254 | < 1/R > | .961047 | < 1/R**2 > | 3.715394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213021 | .71612506 |
| 2 | 1s | 8.200569 | .22612991 |
| 3 | 1s | 2.381562 | .00352108 |
| 4 | 2s | 6.450195 | .08052517 |
| 5 | 3s | 6.779483 | -.01402168 |
| 6 | 4s | 10.925880 | .00565130 |
| 7 | 5s | 42.336822 | -.00002668 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268104 | < R2 > | .096881 | < 1/R > | 5.668470 | < 1/R**2 > | 65.302222 |
Total Energy= -37.32406318 a.u.
Kinetic Energy= 37.32299485 a.u.
Potential Energy= -74.64705803 a.u.
Virial Ratio = -2.00002862