(1s 2 2s 2 2p 1 5d 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | .969866 | 1.88831916 |
| 2 | 4d | .874745 | -4.32559017 |
| 3 | 5d | .771957 | 3.29003762 |
| 4 | 3d | 4.332087 | .00969331 |
| 5 | 4d | .550061 | -.19334051 |
| 6 | 5d | 2.286598 | -.01368010 |
| 7 | 4d | 10.400452 | -.00022773 |
| 8 | 5d | .486743 | .02326125 |
| ORB.ENERGY,a.u. | -.320840 | ||
| NORM | 1.000004 | < R > | 8.578298 | < R2 > | 83.630674 | < 1/R > | .163004 | < 1/R**2 > | .055218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.094944 | .87502305 |
| 2 | 2p | 4.999957 | .13623351 |
| 3 | 2p | 10.487248 | .00777688 |
| 4 | 3p | 4.394398 | -.00591463 |
| 5 | 4p | 2.854526 | .01114079 |
| 6 | 4p | 15.597842 | -.00066976 |
| ORB.ENERGY,a.u. | -4.002200 | ||
| NORM | 1.000000 | < R > | .765089 | < R2 > | .714237 | < 1/R > | 1.669127 | < 1/R**2 > | 3.821695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.080165 | .30811053 |
| 2 | 2s | 2.900994 | -.78504545 |
| 3 | 3s | 4.666151 | -.27089912 |
| 4 | 4s | 16.547578 | .00232006 |
| 5 | 5s | 9.217520 | -.01764163 |
| 6 | 5s | 3.303815 | .03018848 |
| 7 | 4s | 35.409607 | .00003687 |
| 8 | 4s | 2.939727 | -.00724102 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .843566 | < R2 > | .836584 | < 1/R > | 1.711150 | < 1/R**2 > | 11.863856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.336621 | .00123332 |
| 2 | 1s | 8.053002 | .85111858 |
| 3 | 1s | 12.613183 | .14432346 |
| 4 | 2s | 11.022426 | .02092537 |
| 5 | 3s | 9.806957 | -.01582333 |
| 6 | 4s | 15.753932 | .00477715 |
| 7 | 5s | 28.689714 | .00028221 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174827 | < R2 > | .041063 | < 1/R > | 8.657585 | < 1/R**2 > | 151.553651 |
Total Energy= -92.45645670 a.u.
Kinetic Energy= 92.44760629 a.u.
Potential Energy= -184.90406300 a.u.
Virial Ratio = -2.00009573