(1s 2 2s 2 2p 2 5d 1 ) 2 P S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 2.554499 | 1.51154861 |
| 2 | 4d | 2.187768 | -4.19999834 |
| 3 | 5d | 2.000072 | 3.34844497 |
| 4 | 3d | 5.826475 | .05482660 |
| 5 | 5d | 9.047529 | -.01030515 |
| 6 | 4d | 32.774327 | .00019101 |
| 7 | 5d | 1.412481 | -.00598165 |
| 8 | 5d | 44.121565 | -.00009173 |
| ORB.ENERGY,a.u. | -2.054400 | ||
| NORM | 1.000001 | < R > | 3.350245 | < R2 > | 12.745159 | < 1/R > | .416553 | < 1/R**2 > | .362085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.298713 | 1.14087385 |
| 2 | 3p | 7.441278 | -.16206936 |
| 3 | 2p | 15.374959 | .02016803 |
| 4 | 4p | 17.485579 | .00611509 |
| 5 | 5p | 27.149181 | -.00068350 |
| 6 | 5p | 7.278649 | -.00334148 |
| 7 | 4p | 71.039038 | .00002296 |
| ORB.ENERGY,a.u. | -18.133000 | ||
| NORM | 1.000000 | < R > | .378329 | < R2 > | .173702 | < 1/R > | 3.351267 | < 1/R**2 > | 15.251424 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.624314 | .42195847 |
| 2 | 2s | 6.969500 | -.86309988 |
| 3 | 3s | 7.111921 | -.28399224 |
| 4 | 4s | 26.963182 | .00210710 |
| 5 | 3s | 14.870225 | .01703775 |
| 6 | 5s | 7.147557 | -.02186578 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433289 | < R2 > | .220015 | < 1/R > | 3.384371 | < 1/R**2 > | 46.477441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92671994 |
| 2 | 1s | 23.112841 | .07200828 |
| 3 | 2s | 14.129088 | .01947761 |
| 4 | 3s | 17.753882 | -.01558720 |
| 5 | 5s | 37.699394 | .00090194 |
| 6 | 4s | 89.325710 | -.00003650 |
| 7 | 5s | 11.796922 | .00036769 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626921 | < 1/R**2 > | 491.749054 |
Total Energy= -336.98110383 a.u.
Kinetic Energy= 336.98288864 a.u.
Potential Energy= -673.96399247 a.u.
Virial Ratio = -1.99999470