(1s 2 2s 2 2p 3 4d 1 ) 5 D S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 2.635086 | 1.21092715 |
| 2 | 4d | 2.293025 | -1.78443597 |
| 3 | 3d | 6.972135 | .04917809 |
| 4 | 4d | 5.123720 | .05164680 |
| 5 | 5d | 24.136958 | -.00015633 |
| ORB.ENERGY,a.u. | -2.647400 | ||
| NORM | 1.000001 | < R > | 2.210905 | < R2 > | 5.607517 | < 1/R > | .605116 | < 1/R**2 > | .615842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.271757 | 1.29021273 |
| 2 | 3p | 8.200301 | -.38279821 |
| 3 | 4p | 10.334445 | .08380181 |
| 4 | 5p | 28.482558 | .00027703 |
| 5 | 4p | 4.038356 | .00542704 |
| 6 | 5p | 19.461014 | .00457181 |
| 7 | 5p | 3.721843 | -.00412662 |
| 8 | 3p | 2.718509 | .00214059 |
| ORB.ENERGY,a.u. | -15.881000 | ||
| NORM | 1.000000 | < R > | .390308 | < R2 > | .185568 | < 1/R > | 3.262758 | < 1/R**2 > | 14.529684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 2s | 6.883266 | -.86170813 |
| 2 | 3s | 6.619056 | -.28902967 |
| 3 | 4s | 27.018118 | .00196819 |
| 4 | 3s | 14.887420 | .01599610 |
| 5 | 5s | 6.763835 | -.01309795 |
| 6 | 1s | 12.655061 | .41058829 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .443095 | < R2 > | .230603 | < 1/R > | 3.305196 | < 1/R**2 > | 44.491956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176892 | .93715521 |
| 2 | 1s | 23.605269 | .06079057 |
| 3 | 2s | 13.671827 | .01848732 |
| 4 | 3s | 19.151524 | -.01478332 |
| 5 | 4s | 29.419530 | .00271707 |
| 6 | 5s | 54.800751 | .00008587 |
| 7 | 5s | 11.532696 | .00057351 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096732 | < R2 > | .012552 | < 1/R > | 15.608858 | < 1/R**2 > | 490.867401 |
Total Energy= -354.02972233 a.u.
Kinetic Energy= 354.05149368 a.u.
Potential Energy= -708.08121601 a.u.
Virial Ratio = -1.99993851