(1s 2 2s 2 4d 1 ) 2 D N 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .903949 | 1.19072708 |
| 2 | 4d | .747391 | -1.70196803 |
| 3 | 3d | 2.179801 | .05122328 |
| 4 | 5d | 3.244906 | -.00997516 |
| 5 | 4d | 14.400068 | .00007179 |
| 6 | 5d | .613960 | .00941033 |
| ORB.ENERGY,a.u. | -.289690 | ||
| NORM | .999999 | < R > | 6.736849 | < R2 > | 52.106326 | < 1/R > | .198708 | < 1/R**2 > | .066179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.228013 | .29828624 |
| 2 | 2s | 2.328729 | -.74864394 |
| 3 | 3s | 3.521946 | -.28671218 |
| 4 | 4s | 9.884090 | .01308541 |
| 5 | 5s | 3.092075 | -.04822909 |
| 6 | 3s | 8.984990 | .00627817 |
| 7 | 5s | 12.892277 | -.00220348 |
| 8 | 5s | 2.816143 | .01434448 |
| ORB.ENERGY,a.u. | -2.533600 | ||
| NORM | 1.000000 | < R > | 1.114433 | < R2 > | 1.458044 | < 1/R > | 1.284011 | < 1/R**2 > | 6.630144 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.247320 | .70865098 |
| 2 | 1s | 9.279214 | .23172614 |
| 3 | 2s | 7.144293 | .08356820 |
| 4 | 3s | 7.841428 | -.01513077 |
| 5 | 4s | 13.100735 | .00927492 |
| 6 | 5s | 16.963112 | -.00176665 |
| 7 | 3s | 41.255782 | .00001570 |
| ORB.ENERGY,a.u. | -17.720000 |
| NORM | 1.000000 | < R > | .227006 | < R2 > | .069266 | < 1/R > | 6.675789 | < 1/R**2 > | 90.300029 |
Total Energy= -51.37331574 a.u.
Kinetic Energy= 51.37201581 a.u.
Potential Energy= -102.74533155 a.u.
Virial Ratio = -2.00002530