(1s 2 2s 2 2p 2 5d 1 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.219546 | 1.79016966 |
| 2 | 4d | 1.919736 | -4.75372480 |
| 3 | 5d | 1.779512 | 3.68885491 |
| 4 | 3d | 8.322017 | .01115596 |
| 5 | 5d | 4.444460 | -.01984295 |
| 6 | 4d | 19.117970 | -.00033556 |
| 7 | 5d | 1.354610 | -.01475820 |
| 8 | 5d | 73.857893 | -.00000621 |
| ORB.ENERGY,a.u. | -1.632700 | ||
| NORM | 1.000001 | < R > | 3.793353 | < R2 > | 16.350526 | < 1/R > | .368230 | < 1/R**2 > | .280881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.803440 | 1.13564962 |
| 2 | 3p | 6.762540 | -.16302588 |
| 3 | 2p | 14.353071 | .02298611 |
| 4 | 4p | 16.829657 | .00926835 |
| 5 | 5p | 23.720180 | -.00186826 |
| 6 | 5p | 3.662710 | .00017841 |
| 7 | 4p | 63.476555 | .00004460 |
| ORB.ENERGY,a.u. | -15.188000 | ||
| NORM | 1.000000 | < R > | .409329 | < R2 > | .203537 | < 1/R > | 3.101090 | < 1/R**2 > | 13.078237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.924278 | .41176944 |
| 2 | 2s | 6.451035 | -.85470393 |
| 3 | 3s | 6.632769 | -.28049100 |
| 4 | 4s | 25.183270 | .00222218 |
| 5 | 3s | 14.048663 | .01710315 |
| 6 | 5s | 6.658149 | -.02719900 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467112 | < R2 > | .255837 | < 1/R > | 3.134495 | < 1/R**2 > | 39.891980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110000 | .92171284 |
| 2 | 1s | 21.590601 | .07718864 |
| 3 | 2s | 13.471348 | .01931977 |
| 4 | 3s | 16.735231 | -.01553498 |
| 5 | 5s | 35.657525 | .00099047 |
| 6 | 4s | 86.724967 | -.00003316 |
| 7 | 5s | 11.543877 | .00052591 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628505 | < 1/R**2 > | 431.104760 |
Total Energy= -293.35914338 a.u.
Kinetic Energy= 293.32782047 a.u.
Potential Energy= -586.68696386 a.u.
Virial Ratio = -2.00010678