(1s 2 2s 2 2p 5 3d 1 ) 1 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 2.136270 | 1.12357334 |
| 2 | 3d | 6.021700 | .03788010 |
| 3 | 4d | 2.774674 | -.15181038 |
| 4 | 5d | 9.194224 | -.00148599 |
| 5 | 4d | 37.524327 | .00001875 |
| 6 | 5d | 1.985488 | .01623533 |
| ORB.ENERGY,a.u. | -2.076000 | ||
| NORM | 1.000000 | < R > | 1.629826 | < R2 > | 3.077465 | < 1/R > | .731710 | < 1/R**2 > | .666083 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.769472 | 1.23481664 |
| 2 | 3p | 5.554058 | -.32564441 |
| 3 | 2p | 11.010793 | .08677025 |
| 4 | 4p | 13.157095 | .01430360 |
| 5 | 5p | 36.399229 | -.00011649 |
| 6 | 5p | 3.259406 | .00092859 |
| ORB.ENERGY,a.u. | -8.784600 | ||
| NORM | 1.000000 | < R > | .460237 | < R2 > | .261944 | < 1/R > | 2.814310 | < 1/R**2 > | 11.010949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.132383 | .37221956 |
| 2 | 2s | 6.150804 | -.83390836 |
| 3 | 3s | 5.418480 | -.30317015 |
| 4 | 4s | 18.232009 | .00452134 |
| 5 | 3s | 17.503846 | .00668560 |
| 6 | 5s | 36.293066 | .00044179 |
| 7 | 5s | 4.824390 | -.00414063 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502053 | < R2 > | .298137 | < 1/R > | 2.908291 | < 1/R**2 > | 34.728408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204919 | .92329935 |
| 2 | 1s | 20.989262 | .07299117 |
| 3 | 2s | 8.547004 | .02099937 |
| 4 | 3s | 10.660297 | -.02129825 |
| 5 | 4s | 13.408621 | .01066931 |
| 6 | 5s | 35.797960 | .00080287 |
| 7 | 4s | 81.178420 | -.00003894 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103669 | < R2 > | .014441 | < 1/R > | 14.585471 | < 1/R**2 > | 429.148587 |
Total Energy= -328.41693589 a.u.
Kinetic Energy= 328.39248708 a.u.
Potential Energy= -656.80942297 a.u.
Virial Ratio = -2.00007445