(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 2 F P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 3d | .434566 | .58123195 |
| 2 | 4d | .244932 | -1.55147153 |
| 3 | 3d | .809842 | .27006199 |
| 4 | 4d | 1.364551 | -.12953294 |
| 5 | 5d | 1.031594 | -.19477072 |
| 6 | 5d | .406987 | .62673074 |
| 7 | 3d | 4.573628 | .00159606 |
| 8 | 5d | 19.882853 | .00003545 |
| ORB.ENERGY,a.u. | -.158770 | ||
| NORM | .999998 | < R > | 20.510697 | < R2 > | 482.783923 | < 1/R > | .065371 | < 1/R**2 > | .007368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.102803 | .26480149 |
| 2 | 2p | 1.079309 | -.87868453 |
| 3 | 3p | 1.984026 | -.29128997 |
| 4 | 2p | 8.138720 | .08493085 |
| 5 | 4p | 1.210991 | .12182584 |
| 6 | 3p | 12.508668 | -.00429900 |
| 7 | 4p | 30.250751 | -.00012884 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.131155 | < R2 > | 5.293862 | < 1/R > | .618735 | < 1/R**2 > | .843855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.353090 | -.17725850 |
| 2 | 1s | 10.701564 | .17033400 |
| 3 | 1s | 41.202040 | .00023344 |
| 4 | 2s | 4.747312 | -.24280426 |
| 5 | 3s | 1.913749 | .83943435 |
| 6 | 4s | 3.412093 | .19444391 |
| 7 | 3s | 29.269180 | -.00058318 |
| 8 | 5s | 1.722922 | .06466959 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848152 | < R2 > | 3.936518 | < 1/R > | .724961 | < 1/R**2 > | 2.969380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372550 | .42811205 |
| 2 | 3p | 6.500507 | .49499865 |
| 3 | 2p | 20.147892 | .00249410 |
| 4 | 4p | 5.240272 | .18069478 |
| 5 | 5p | 4.033393 | .01286590 |
| 6 | 3p | 38.475750 | .00006513 |
| 7 | 4p | 81.792670 | -.00000233 |
| 8 | 3p | 1.595734 | .00090771 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483352 | < R2 > | .291761 | < 1/R > | 2.706624 | < 1/R**2 > | 10.286595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194574 | .35988287 |
| 2 | 2s | 5.437910 | -.77666788 |
| 3 | 3s | 4.856859 | -.17146434 |
| 4 | 4s | 23.632237 | .00226676 |
| 5 | 2s | 6.760205 | -.17609760 |
| 6 | 3s | 15.375370 | .00817226 |
| 7 | 5s | 4.031094 | -.00308760 |
| 8 | 4s | 1.915864 | -.00025092 |
| 9 | 5s | 48.231585 | .00005419 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515313 | < R2 > | .315435 | < 1/R > | 2.833494 | < 1/R**2 > | 33.095121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.413502 | -.00021589 |
| 2 | 1s | 14.570410 | 1.01425897 |
| 3 | 2s | 21.105407 | -.02188140 |
| 4 | 3s | 11.321560 | .01689843 |
| 5 | 4s | 20.111920 | -.00094962 |
| 6 | 5s | 17.686549 | .00342818 |
| 7 | 5s | 62.466423 | -.00003186 |
| 8 | 4s | 12.074594 | -.00660207 |
| 9 | 2s | 54.221691 | .00013073 |
| 10 | 3s | 7.509492 | .00141307 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573872 | < 1/R**2 > | 428.620758 |
Total Energy= -340.38291166 a.u.
Kinetic Energy= 340.38158446 a.u.
Potential Energy= -680.76449612 a.u.
Virial Ratio = -2.00000390