(1s 2 2s 2 2p 6 3s 2 3p 3 5d 1 ) 5 D S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5252.
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 | 4d | .457088 | .63771851 |
| 2 | 3d | .169757 | -3.20500143 |
| 3 | 5d | .207074 | 3.33752141 |
| 4 | 3d | .846546 | .54259148 |
| 5 | 4d | 1.105416 | -.28513440 |
| 6 | 3d | 2.910311 | .03884774 |
| 7 | 4d | 4.055776 | -.01455558 |
| 8 | 5d | 15.520100 | .00021798 |
| 9 | 4d | 27.215747 | .00003323 |
| ORB.ENERGY,a.u. | -.022787 | ||
| NORM | 1.000004 | < R > | 29.296598 | < R2 > | 993.203652 | < 1/R > | .057081 | < 1/R**2 > | .011698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 2.728075 | -.11676913 |
| 2 | 2p | 6.021211 | .37180917 |
| 3 | 2p | 1.398095 | -.95696134 |
| 4 | 3p | 9.130075 | -.05243171 |
| 5 | 5p | 6.472938 | .06436995 |
| 6 | 4p | 25.959630 | -.00064332 |
| 7 | 5p | 55.595067 | -.00002373 |
| 8 | 3p | 43.841328 | -.00004103 |
| 9 | 3p | 1.106552 | -.00516792 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.883986 | < R2 > | 4.145219 | < 1/R > | .703711 | < 1/R**2 > | 1.089938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.056578 | .55841043 |
| 2 | 1s | 12.590963 | .10230201 |
| 3 | 2s | 4.757589 | -.49769949 |
| 4 | 3s | 2.187750 | .54653446 |
| 5 | 4s | 3.809328 | .10177830 |
| 6 | 2s | 7.741054 | -.10055247 |
| 7 | 4s | 24.358568 | .00092219 |
| 8 | 2s | 24.531990 | -.00046234 |
| 9 | 5s | 1.445932 | -.02863405 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.660581 | < R2 > | 3.179825 | < 1/R > | .812850 | < 1/R**2 > | 3.788812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.945962 | .44320901 |
| 2 | 3p | 6.916205 | .50870741 |
| 3 | 4p | 5.544919 | .15035768 |
| 4 | 5p | 4.025914 | .00649969 |
| 5 | 2p | 21.377426 | .00243274 |
| 6 | 3p | 49.792552 | .00002858 |
| 7 | 4p | 1.752558 | .00022639 |
| 8 | 5p | 60.786055 | .00001813 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440805 | < R2 > | .241748 | < 1/R > | 2.955457 | < 1/R**2 > | 12.209560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924510 | .37011413 |
| 2 | 2s | 6.883807 | -.73720908 |
| 3 | 3s | 6.024313 | -.38884184 |
| 4 | 4s | 4.885921 | -.02955911 |
| 5 | 3s | 15.826733 | .00936214 |
| 6 | 4s | 26.698905 | .00175941 |
| 7 | 5s | 2.566460 | -.00051466 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475530 | < R2 > | .268216 | < 1/R > | 3.074660 | < 1/R**2 > | 38.933425 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563593 | 1.01357493 |
| 2 | 2s | 18.223482 | -.01501411 |
| 3 | 3s | 14.023282 | .01728966 |
| 4 | 4s | 62.619885 | -.00035971 |
| 5 | 4s | 6.671501 | .00185280 |
| 6 | 5s | 82.276830 | .00011294 |
| 7 | 5s | 7.108761 | -.00118490 |
| 8 | 2s | 23.677964 | -.00960525 |
| 9 | 2s | 212.913127 | .00000080 |
| 10 | 3s | 1.567945 | -.00001038 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566721 | < 1/R**2 > | 488.819562 |
Total Energy= -397.19392971 a.u.
Kinetic Energy= 397.19598817 a.u.
Potential Energy= -794.38991788 a.u.
Virial Ratio = -1.99999482