(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 4.694307 | .00259464 |
| 2 | 3d | .296584 | 1.01320743 |
| 3 | 4d | .222122 | -3.36549378 |
| 4 | 5d | .202608 | 3.02360667 |
| 5 | 3d | .853652 | .14520918 |
| 6 | 4d | 1.101441 | -.08616369 |
| 7 | 5d | 3.897184 | .00406657 |
| ORB.ENERGY,a.u. | -.148010 | ||
| NORM | 1.000010 | < R > | 32.529000 | < R2 > | 1207.052629 | < 1/R > | .044634 | < 1/R**2 > | .004867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103499 | .26459082 |
| 2 | 2p | 1.078863 | -.87873128 |
| 3 | 3p | 1.983523 | -.29122189 |
| 4 | 2p | 8.137150 | .08492128 |
| 5 | 4p | 1.212571 | .12172359 |
| 6 | 3p | 12.476106 | -.00432285 |
| 7 | 4p | 30.165610 | -.00013275 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.132114 | < R2 > | 5.299341 | < 1/R > | .618491 | < 1/R**2 > | .843212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.351182 | -.17730043 |
| 2 | 1s | 10.702528 | .17029913 |
| 3 | 1s | 41.206555 | .00023300 |
| 4 | 2s | 4.747393 | -.24274031 |
| 5 | 3s | 1.913764 | .83929172 |
| 6 | 4s | 3.412371 | .19454184 |
| 7 | 3s | 29.299502 | -.00058120 |
| 8 | 5s | 1.724572 | .06470612 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848073 | < R2 > | 3.936095 | < 1/R > | .724986 | < 1/R**2 > | 2.969582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372534 | .42811478 |
| 2 | 3p | 6.500509 | .49499614 |
| 3 | 2p | 20.147908 | .00249413 |
| 4 | 4p | 5.240295 | .18069335 |
| 5 | 5p | 4.033620 | .01286481 |
| 6 | 3p | 38.465758 | .00006518 |
| 7 | 4p | 81.660031 | -.00000233 |
| 8 | 3p | 1.596297 | .00090756 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483351 | < R2 > | .291759 | < 1/R > | 2.706630 | < 1/R**2 > | 10.286632 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194588 | .35988300 |
| 2 | 2s | 5.437912 | -.77666727 |
| 3 | 3s | 4.856910 | -.17146378 |
| 4 | 4s | 23.633239 | .00226683 |
| 5 | 2s | 6.760203 | -.17609756 |
| 6 | 3s | 15.375575 | .00817216 |
| 7 | 5s | 4.030943 | -.00308764 |
| 8 | 4s | 1.916443 | -.00025064 |
| 9 | 5s | 48.268032 | .00005406 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515311 | < R2 > | .315433 | < 1/R > | 2.833500 | < 1/R**2 > | 33.095245 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.415000 | -.00021603 |
| 2 | 1s | 14.570410 | 1.01425904 |
| 3 | 2s | 21.105411 | -.02188140 |
| 4 | 3s | 11.321556 | .01689844 |
| 5 | 4s | 20.112100 | -.00094962 |
| 6 | 5s | 17.686634 | .00342816 |
| 7 | 5s | 62.463515 | -.00003186 |
| 8 | 4s | 12.074580 | -.00660208 |
| 9 | 2s | 54.221742 | .00013073 |
| 10 | 3s | 7.509465 | .00141309 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573873 | < 1/R**2 > | 428.620810 |
Total Energy= -340.37116295 a.u.
Kinetic Energy= 340.37079157 a.u.
Potential Energy= -680.74195452 a.u.
Virial Ratio = -2.00000109