(1s 2 2s 2 2p 2 4d 1 ) 2 F S 9+
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 | 2.860383 | 1.36392063 |
| 2 | 4d | 2.495204 | -1.87655709 |
| 3 | 3d | 6.306191 | .04208300 |
| 4 | 5d | 2.188239 | .00752095 |
| 5 | 4d | 19.865155 | .00016587 |
| 6 | 5d | 9.207822 | -.01024842 |
| 7 | 3d | 24.429991 | .00009057 |
| ORB.ENERGY,a.u. | -3.185800 | ||
| NORM | 1.000000 | < R > | 2.049118 | < R2 > | 4.812789 | < 1/R > | .648329 | < 1/R**2 > | .691474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.307256 | 1.12531626 |
| 2 | 3p | 7.387892 | -.15149639 |
| 3 | 2p | 14.798866 | .02359635 |
| 4 | 4p | 16.225257 | .00553374 |
| 5 | 5p | 35.258373 | -.00025076 |
| 6 | 5p | 3.496891 | .00039793 |
| ORB.ENERGY,a.u. | -17.840000 | ||
| NORM | 1.000000 | < R > | .378372 | < R2 > | .173783 | < 1/R > | 3.351373 | < 1/R**2 > | 15.253529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.626523 | .42155545 |
| 2 | 2s | 6.968710 | -.86238909 |
| 3 | 3s | 7.094509 | -.28398245 |
| 4 | 4s | 26.745879 | .00207426 |
| 5 | 3s | 15.044452 | .01650974 |
| 6 | 5s | 7.137698 | -.02206310 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433594 | < R2 > | .220355 | < 1/R > | 3.381996 | < 1/R**2 > | 46.417317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92672000 |
| 2 | 1s | 23.112559 | .07200916 |
| 3 | 2s | 14.126900 | .01947770 |
| 4 | 3s | 17.753970 | -.01558699 |
| 5 | 5s | 37.708811 | .00090182 |
| 6 | 4s | 89.297552 | -.00003640 |
| 7 | 5s | 11.775226 | .00036985 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626901 | < 1/R**2 > | 491.748272 |
Total Energy= -338.15309521 a.u.
Kinetic Energy= 338.11412654 a.u.
Potential Energy= -676.26722176 a.u.
Virial Ratio = -2.00011525