(1s 1 3d 1 ) 3 D C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 1.703986 | .92750230 |
| 2 | 3d | 6.509910 | .00078966 |
| 3 | 4d | 1.682992 | .07702447 |
| 4 | 5d | 5.013689 | .00050318 |
| ORB.ENERGY,a.u. | -1.398400 | ||
| NORM | 1.000000 | < R > | 2.097707 | < R2 > | 5.030150 | < 1/R > | .556400 | < 1/R**2 > | .371818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.892643 | .75791025 |
| 2 | 1s | 6.102332 | .25569270 |
| 3 | 2s | 5.976310 | -.01525354 |
| 4 | 3s | 6.140572 | -.00053550 |
| 5 | 4s | 4.339998 | .00019690 |
| ORB.ENERGY,a.u. | -17.398000 |
| NORM | 1.000000 | < R > | .250044 | < R2 > | .083373 | < 1/R > | 5.999431 | < 1/R**2 > | 71.989955 |
Total Energy= -19.39642528 a.u.
Kinetic Energy= 19.38970692 a.u.
Potential Energy= -38.78613219 a.u.
Virial Ratio = -2.00034649