(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d | .252423 | -1.45117874 |
| 2 | 3d | 1.069751 | .23047965 |
| 3 | 4d | 1.746716 | -.08661152 |
| 4 | 5d | 1.365613 | -.11588027 |
| 5 | 5d | .418096 | .39516041 |
| 6 | 3d | 5.618375 | .00137348 |
| 7 | 3d | .412654 | .62747189 |
| ORB.ENERGY,a.u. | -.160160 | ||
| NORM | 1.000002 | < R > | 19.449989 | < R2 > | 436.783487 | < 1/R > | .071030 | < 1/R**2 > | .009417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.102443 | .26448283 |
| 2 | 2p | 1.077915 | -.87887859 |
| 3 | 3p | 1.986199 | -.29086548 |
| 4 | 2p | 8.139044 | .08485817 |
| 5 | 4p | 1.209990 | .12143439 |
| 6 | 3p | 12.523763 | -.00428469 |
| 7 | 4p | 30.292935 | -.00012680 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.133028 | < R2 > | 5.304269 | < 1/R > | .618245 | < 1/R**2 > | .842559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.374800 | -.17708951 |
| 2 | 1s | 10.696046 | .17065729 |
| 3 | 1s | 39.813368 | .00025792 |
| 4 | 2s | 4.736170 | -.24383319 |
| 5 | 3s | 1.913079 | .84249788 |
| 6 | 4s | 3.421025 | .19291368 |
| 7 | 3s | 29.353810 | -.00054743 |
| 8 | 5s | 1.712599 | .06355372 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848542 | < R2 > | 3.938537 | < 1/R > | .724840 | < 1/R**2 > | 2.968439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372507 | .42811966 |
| 2 | 3p | 6.500509 | .49499187 |
| 3 | 2p | 20.148042 | .00249413 |
| 4 | 4p | 5.240326 | .18069134 |
| 5 | 5p | 4.033800 | .01286378 |
| 6 | 3p | 38.451869 | .00006525 |
| 7 | 4p | 81.515447 | -.00000233 |
| 8 | 3p | 1.594501 | .00090967 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483349 | < R2 > | .291756 | < 1/R > | 2.706638 | < 1/R**2 > | 10.286691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194604 | .35988300 |
| 2 | 2s | 5.437915 | -.77666727 |
| 3 | 3s | 4.856946 | -.17146287 |
| 4 | 4s | 23.634676 | .00226709 |
| 5 | 2s | 6.760193 | -.17609760 |
| 6 | 3s | 15.375604 | .00817210 |
| 7 | 5s | 4.030846 | -.00308733 |
| 8 | 4s | 1.915411 | -.00025096 |
| 9 | 5s | 48.321323 | .00005392 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515310 | < R2 > | .315432 | < 1/R > | 2.833506 | < 1/R**2 > | 33.095359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.416893 | -.00021621 |
| 2 | 1s | 14.570410 | 1.01425914 |
| 3 | 2s | 21.105419 | -.02188142 |
| 4 | 3s | 11.321560 | .01689844 |
| 5 | 4s | 20.112426 | -.00094961 |
| 6 | 5s | 17.686732 | .00342813 |
| 7 | 5s | 62.458464 | -.00003186 |
| 8 | 4s | 12.074568 | -.00660208 |
| 9 | 2s | 54.221556 | .00013074 |
| 10 | 3s | 7.509427 | .00141311 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573875 | < 1/R**2 > | 428.620888 |
Total Energy= -340.38342964 a.u.
Kinetic Energy= 340.38294327 a.u.
Potential Energy= -680.76637291 a.u.
Virial Ratio = -2.00000143