(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 D P 0
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 | .261045 | 1.27382592 |
| 2 | 4d | .202321 | -6.03163968 |
| 3 | 5d | .194999 | 4.60688823 |
| 4 | 3d | .212750 | 1.05046532 |
| 5 | 4d | .526493 | -.34460847 |
| 6 | 5d | .668547 | .16306219 |
| 7 | 3d | 2.278478 | .00558682 |
| 8 | 4d | 8.222961 | .00029306 |
| 9 | 5d | 27.695176 | .00001680 |
| ORB.ENERGY,a.u. | -.146540 | ||
| NORM | 1.000027 | < R > | 35.283701 | < R2 > | 1412.437013 | < 1/R > | .039162 | < 1/R**2 > | .003115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103562 | .26488937 |
| 2 | 2p | 1.080034 | -.87862816 |
| 3 | 3p | 1.981966 | -.29155340 |
| 4 | 2p | 8.137184 | .08498335 |
| 5 | 4p | 1.213008 | .12209985 |
| 6 | 3p | 12.471453 | -.00432882 |
| 7 | 4p | 30.148232 | -.00013355 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.130433 | < R2 > | 5.289968 | < 1/R > | .618929 | < 1/R**2 > | .844370 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.350327 | -.17733550 |
| 2 | 1s | 10.702602 | .17031022 |
| 3 | 1s | 41.210803 | .00023302 |
| 4 | 2s | 4.747737 | -.24274125 |
| 5 | 3s | 1.913914 | .83933657 |
| 6 | 4s | 3.412090 | .19453414 |
| 7 | 3s | 29.293349 | -.00058174 |
| 8 | 5s | 1.727223 | .06452831 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.847741 | < R2 > | 3.934391 | < 1/R > | .725088 | < 1/R**2 > | 2.970377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372553 | .42811015 |
| 2 | 3p | 6.500497 | .49500023 |
| 3 | 2p | 20.147919 | .00249411 |
| 4 | 4p | 5.240246 | .18069605 |
| 5 | 5p | 4.033230 | .01286665 |
| 6 | 3p | 38.482337 | .00006509 |
| 7 | 4p | 81.925373 | -.00000233 |
| 8 | 3p | 1.597365 | .00090599 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483354 | < R2 > | .291763 | < 1/R > | 2.706616 | < 1/R**2 > | 10.286546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194565 | .35988271 |
| 2 | 2s | 5.437907 | -.77666829 |
| 3 | 3s | 4.856827 | -.17146470 |
| 4 | 4s | 23.631814 | .00226666 |
| 5 | 2s | 6.760206 | -.17609763 |
| 6 | 3s | 15.375141 | .00817239 |
| 7 | 5s | 4.031026 | -.00308775 |
| 8 | 4s | 1.916960 | -.00025055 |
| 9 | 5s | 48.203536 | .00005427 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515313 | < R2 > | .315436 | < 1/R > | 2.833490 | < 1/R**2 > | 33.095029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.411982 | -.00021575 |
| 2 | 1s | 14.570410 | 1.01425889 |
| 3 | 2s | 21.105403 | -.02188138 |
| 4 | 3s | 11.321553 | .01689844 |
| 5 | 4s | 20.111548 | -.00094964 |
| 6 | 5s | 17.686475 | .00342820 |
| 7 | 5s | 62.469277 | -.00003186 |
| 8 | 4s | 12.074601 | -.00660207 |
| 9 | 2s | 54.221856 | .00013073 |
| 10 | 3s | 7.509528 | .00141306 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573871 | < 1/R**2 > | 428.620706 |
Total Energy= -340.37050556 a.u.
Kinetic Energy= 340.36935320 a.u.
Potential Energy= -680.73985876 a.u.
Virial Ratio = -2.00000339