(1s 2 2s 2 2p 3 5d 1 ) 3 D P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.097307 | 1.41837882 |
| 2 | 4d | 1.635163 | -5.13968341 |
| 3 | 5d | 1.601917 | 4.48780390 |
| 4 | 3d | 5.558633 | .03502185 |
| 5 | 5d | 8.324281 | -.00897844 |
| 6 | 4d | 23.839007 | .00011472 |
| 7 | 5d | 1.292111 | -.02520893 |
| 8 | 4d | 57.534031 | .00000850 |
| ORB.ENERGY,a.u. | -1.302200 | ||
| NORM | 1.000003 | < R > | 4.225127 | < R2 > | 20.288314 | < 1/R > | .331528 | < 1/R**2 > | .230476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.740788 | 1.33583292 |
| 2 | 3p | 7.307747 | -.42250140 |
| 3 | 4p | 8.956157 | .08298040 |
| 4 | 5p | 26.608452 | -.00218760 |
| 5 | 4p | 3.614226 | .00651841 |
| 6 | 4p | 35.258192 | -.00096491 |
| 7 | 5p | 3.754469 | -.00343268 |
| 8 | 3p | .495673 | -.00000812 |
| 9 | 3p | 51.539840 | -.00006926 |
| ORB.ENERGY,a.u. | -13.330000 | ||
| NORM | 1.000000 | < R > | .423024 | < R2 > | .218231 | < 1/R > | 3.014513 | < 1/R**2 > | 12.423916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.939043 | .40092950 |
| 2 | 2s | 6.369239 | -.85704316 |
| 3 | 3s | 6.090490 | -.28763189 |
| 4 | 4s | 25.208154 | .00200021 |
| 5 | 3s | 14.144188 | .01618558 |
| 6 | 5s | 6.207977 | -.01278245 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478188 | < R2 > | .268746 | < 1/R > | 3.057803 | < 1/R**2 > | 38.106111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.175131 | .93173806 |
| 2 | 1s | 21.908262 | .06641796 |
| 3 | 2s | 12.643354 | .01835637 |
| 4 | 3s | 17.870316 | -.01483624 |
| 5 | 4s | 27.568399 | .00302336 |
| 6 | 5s | 53.559291 | .00008837 |
| 7 | 5s | 10.502335 | .00056743 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103377 | < R2 > | .014341 | < 1/R > | 14.611227 | < 1/R**2 > | 430.316082 |
Total Energy= -306.71143584 a.u.
Kinetic Energy= 306.69300357 a.u.
Potential Energy= -613.40443941 a.u.
Virial Ratio = -2.00006010