(1s 2 2s 2 2p 1 5d 1 ) 1 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 3d | .459718 | 2.18141933 |
| 2 | 4d | .413553 | -5.67100970 |
| 3 | 5d | .391546 | 4.43049506 |
| 4 | 3d | 3.581961 | .00747231 |
| 5 | 4d | .317777 | -.22178085 |
| 6 | 5d | 1.497715 | -.00947382 |
| 7 | 4d | 5.067737 | -.00286521 |
| 8 | 3d | 6.265299 | -.00074722 |
| ORB.ENERGY,a.u. | -.079417 | ||
| NORM | 1.000000 | < R > | 17.357862 | < R2 > | 342.058946 | < 1/R > | .079986 | < 1/R**2 > | .013039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.075915 | .82911034 |
| 2 | 2p | 3.470546 | .18436584 |
| 3 | 2p | 7.916751 | .00917666 |
| 4 | 3p | 4.018523 | -.00679446 |
| 5 | 4p | 1.967904 | .01930038 |
| 6 | 4p | 11.995220 | -.00067379 |
| ORB.ENERGY,a.u. | -1.628300 | ||
| NORM | 1.000000 | < R > | 1.119615 | < R2 > | 1.541263 | < 1/R > | 1.151862 | < 1/R**2 > | 1.843690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.426949 | .26768800 |
| 2 | 2s | 2.001682 | -.76141201 |
| 3 | 3s | 3.461477 | -.27627130 |
| 4 | 4s | 13.132934 | .00230124 |
| 5 | 5s | 7.043363 | -.02343617 |
| 6 | 5s | 2.256881 | .03189366 |
| 7 | 4s | 28.509389 | .00003564 |
| 8 | 4s | 1.860860 | -.00951445 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179310 | < R2 > | 1.644155 | < 1/R > | 1.210983 | < 1/R**2 > | 5.925884 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.270462 | .00613489 |
| 2 | 1s | 6.254531 | .70944012 |
| 3 | 1s | 9.331822 | .22645775 |
| 4 | 2s | 7.139479 | .08427903 |
| 5 | 3s | 7.703270 | -.01452736 |
| 6 | 4s | 12.791890 | .00522610 |
| 7 | 5s | 22.117047 | .00018809 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227667 | < R2 > | .069769 | < 1/R > | 6.663936 | < 1/R**2 > | 90.056848 |
Total Energy= -52.89773379 a.u.
Kinetic Energy= 52.89520710 a.u.
Potential Energy= -105.79294089 a.u.
Virial Ratio = -2.00004777