(1s 1 3d 1 ) 3 D B 3+
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 | 1.359772 | .93587332 |
| 2 | 4d | 1.344263 | .06807297 |
| 3 | 5d | 4.131624 | .00054231 |
| 4 | 3d | 5.405903 | .00083708 |
| ORB.ENERGY,a.u. | -.893640 | ||
| NORM | 1.000000 | < R > | 2.621961 | < R2 > | 7.858703 | < 1/R > | .445165 | < 1/R**2 > | .238033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.905257 | .75815192 |
| 2 | 1s | 5.102370 | .25533592 |
| 3 | 2s | 4.966067 | -.01509031 |
| 4 | 3s | 5.093627 | -.00057311 |
| 5 | 4s | 3.587783 | .00020519 |
| ORB.ENERGY,a.u. | -12.005000 |
| NORM | 1.000000 | < R > | .300052 | < R2 > | .120057 | < 1/R > | 4.999532 | < 1/R**2 > | 49.993129 |
Total Energy= -13.39451774 a.u.
Kinetic Energy= 13.38944146 a.u.
Potential Energy= -26.78395919 a.u.
Virial Ratio = -2.00037913