(1s 2 2s 1 5d 1 ) 1 D B +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | .451959 | 2.18150548 |
| 2 | 4d | .423235 | -5.39533820 |
| 3 | 5d | .391249 | 3.83831552 |
| 4 | 3d | 3.491869 | .00131822 |
| 5 | 4d | .685610 | .08363671 |
| 6 | 5d | 3.917019 | .00202747 |
| 7 | 5d | .301824 | -.03115585 |
| ORB.ENERGY,a.u. | -.079642 | ||
| NORM | .999995 | < R > | 17.324127 | < R2 > | 340.550718 | < 1/R > | .079861 | < 1/R**2 > | .012857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.448353 | .27737354 |
| 2 | 2s | 1.619091 | -.75409771 |
| 3 | 3s | 2.135715 | -.28467241 |
| 4 | 4s | 6.037398 | .01185602 |
| 5 | 3s | 5.942047 | .01706346 |
| 6 | 5s | 3.844608 | -.02000435 |
| 7 | 5s | 26.000662 | -.00007887 |
| ORB.ENERGY,a.u. | -1.289700 | ||
| NORM | 1.000000 | < R > | 1.636249 | < R2 > | 3.128043 | < 1/R > | .863327 | < 1/R**2 > | 2.982511 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.321187 | .88592398 |
| 2 | 1s | 7.292305 | .12560792 |
| 3 | 2s | 3.673806 | .01720814 |
| 4 | 3s | 5.695864 | -.02244427 |
| 5 | 4s | 9.123880 | .00663517 |
| 6 | 5s | 5.350500 | -.00650080 |
| 7 | 5s | 36.928637 | -.00002348 |
| 8 | 4s | 2.183354 | .00064985 |
| ORB.ENERGY,a.u. | -7.998900 |
| NORM | 1.000000 | < R > | .325212 | < R2 > | .142678 | < 1/R > | 4.680584 | < 1/R**2 > | 44.632148 |
Total Energy= -23.46230990 a.u.
Kinetic Energy= 23.45563004 a.u.
Potential Energy= -46.91793993 a.u.
Virial Ratio = -2.00028479