(1s 2 2s 2 5d 1 ) 2 D P 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.426485 | 2.38876918 |
| 2 | 4d | 2.180194 | -8.01817310 |
| 3 | 5d | 2.225334 | 6.33320005 |
| 4 | 3d | 5.295495 | .05854064 |
| 5 | 5d | 8.355892 | -.01142375 |
| 6 | 4d | 32.782868 | .00018601 |
| 7 | 5d | 1.904228 | .04033967 |
| 8 | 5d | 43.998319 | -.00008805 |
| ORB.ENERGY,a.u. | -2.457800 | ||
| NORM | .999999 | < R > | 3.084080 | < R2 > | 10.794484 | < 1/R > | .450160 | < 1/R**2 > | .414914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.639635 | .39605732 |
| 2 | 2s | 6.062611 | -.80299392 |
| 3 | 3s | 7.922691 | -.29262590 |
| 4 | 5s | 14.911855 | -.01623065 |
| 5 | 4s | 30.024079 | .00222902 |
| 6 | 5s | 6.537980 | .00595983 |
| 7 | 5s | 44.723457 | -.00033636 |
| ORB.ENERGY,a.u. | -19.973000 | ||
| NORM | 1.000000 | < R > | .446391 | < R2 > | .232741 | < 1/R > | 3.290448 | < 1/R**2 > | 43.618415 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.186772 | .93940031 |
| 2 | 1s | 22.868615 | .05984995 |
| 3 | 2s | 15.394372 | .01962511 |
| 4 | 3s | 17.715662 | -.01647121 |
| 5 | 5s | 35.101697 | .00102778 |
| 6 | 4s | 83.465669 | -.00004080 |
| 7 | 5s | 18.238348 | -.00132026 |
| ORB.ENERGY,a.u. | -97.510000 |
| NORM | 1.000000 | < R > | .102726 | < R2 > | .014123 | < 1/R > | 14.670824 | < 1/R**2 > | 433.049224 |
Total Energy= -260.96038691 a.u.
Kinetic Energy= 260.95746612 a.u.
Potential Energy= -521.91785303 a.u.
Virial Ratio = -2.00001119