(1s 2 2s 2 2p 1 5d 1 ) 1 D P 9+
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 | 2.668200 | 1.32740784 |
| 2 | 4d | 2.152319 | -4.14015018 |
| 3 | 5d | 2.002758 | 3.50241130 |
| 4 | 3d | 5.858928 | .04489494 |
| 5 | 5d | 1.366522 | -.01549975 |
| 6 | 5d | 8.708042 | -.00574793 |
| 7 | 4d | 34.693430 | .00004118 |
| 8 | 4d | .991257 | .00450010 |
| 9 | 3d | 63.775309 | .00000172 |
| ORB.ENERGY,a.u. | -2.056500 | ||
| NORM | .999999 | < R > | 3.348744 | < R2 > | 12.727067 | < 1/R > | .415553 | < 1/R**2 > | .358123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.171042 | 1.07618113 |
| 2 | 3p | 7.397680 | -.09412956 |
| 3 | 2p | 15.213439 | .01404848 |
| 4 | 5p | 20.029332 | .00201962 |
| 5 | 4p | 23.328810 | -.00036741 |
| 6 | 5p | 7.233671 | .00770647 |
| 7 | 5p | 56.061775 | -.00000984 |
| ORB.ENERGY,a.u. | -17.210000 | ||
| NORM | 1.000000 | < R > | .396983 | < R2 > | .190754 | < 1/R > | 3.184282 | < 1/R**2 > | 13.723956 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.936397 | .37341657 |
| 2 | 2s | 5.675188 | -.80877415 |
| 3 | 3s | 8.187094 | -.28229458 |
| 4 | 4s | 28.113547 | .00135805 |
| 5 | 5s | 15.970002 | -.01069360 |
| 6 | 5s | 6.263704 | .01645551 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456525 | < R2 > | .243868 | < 1/R > | 3.212052 | < 1/R**2 > | 41.729530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165605 | .93100214 |
| 2 | 1s | 21.894758 | .06859892 |
| 3 | 2s | 13.070491 | .01918823 |
| 4 | 3s | 16.074983 | -.01652910 |
| 5 | 4s | 73.841842 | -.00006466 |
| 6 | 5s | 34.553394 | .00078633 |
| 7 | 4s | 7.968808 | .00008233 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648392 | < 1/R**2 > | 432.016498 |
Total Energy= -278.14028879 a.u.
Kinetic Energy= 278.15179082 a.u.
Potential Energy= -556.29207961 a.u.
Virial Ratio = -1.99995865