(1s 2 2s 1 4d 1 ) 1 D P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 3.115703 | 1.86237165 |
| 2 | 4d | 3.000196 | -2.36809724 |
| 3 | 3d | 9.227238 | .00910788 |
| 4 | 4d | 9.909563 | -.00272018 |
| 5 | 5d | 27.757935 | -.00031777 |
| 6 | 5d | 2.714435 | -.00281065 |
| 7 | 4d | 48.599307 | -.00002923 |
| ORB.ENERGY,a.u. | -4.508700 | ||
| NORM | 1.000000 | < R > | 1.743479 | < R2 > | 3.479278 | < 1/R > | .756546 | < 1/R**2 > | .923953 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.326039 | .42276203 |
| 2 | 2s | 6.438705 | -.80543004 |
| 3 | 3s | 7.768080 | -.30145359 |
| 4 | 5s | 13.455854 | -.02377158 |
| 5 | 4s | 26.845478 | .00511368 |
| 6 | 5s | 35.640014 | -.00108937 |
| 7 | 5s | 3.752925 | -.00015481 |
| 8 | 3s | 55.364747 | .00005306 |
| ORB.ENERGY,a.u. | -21.700000 | ||
| NORM | 1.000000 | < R > | .437465 | < R2 > | .223258 | < 1/R > | 3.372513 | < 1/R**2 > | 45.852681 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421754 | .93885466 |
| 2 | 1s | 22.881535 | .04880221 |
| 3 | 2s | 17.460396 | .01654891 |
| 4 | 3s | 10.731355 | .00170658 |
| 5 | 4s | 60.588492 | -.00045667 |
| 6 | 5s | 81.089679 | .00016669 |
| 7 | 5s | 7.393845 | .00011498 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102704 | < R2 > | .014119 | < 1/R > | 14.674610 | < 1/R**2 > | 433.266199 |
Total Energy= -242.80227528 a.u.
Kinetic Energy= 242.64744156 a.u.
Potential Energy= -485.44971685 a.u.
Virial Ratio = -2.00063810