(1s 2 2s 2 2p 1 5d 1 ) 3 D S 10+
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 | 2.831992 | 1.49572614 |
| 2 | 4d | 2.329166 | -4.60891199 |
| 3 | 5d | 2.198456 | 3.82553094 |
| 4 | 3d | 6.523588 | .03262266 |
| 5 | 5d | 9.868688 | -.00456674 |
| 6 | 5d | 1.735485 | -.01540369 |
| 7 | 4d | 36.621477 | .00004740 |
| 8 | 3d | 71.734321 | .00000166 |
| ORB.ENERGY,a.u. | -2.467100 | ||
| NORM | 1.000000 | < R > | 3.071002 | < R2 > | 10.707117 | < 1/R > | .453136 | < 1/R**2 > | .423043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.668959 | 1.07899824 |
| 2 | 3p | 8.245518 | -.09239158 |
| 3 | 2p | 15.932943 | .01328245 |
| 4 | 5p | 18.979910 | .00233162 |
| 5 | 4p | 32.976741 | -.00031260 |
| 6 | 5p | 5.895701 | .00214175 |
| 7 | 5p | 104.213953 | -.00000395 |
| 8 | 4p | 1.619969 | -.00010408 |
| ORB.ENERGY,a.u. | -20.273000 | ||
| NORM | 1.000000 | < R > | .367524 | < R2 > | .163417 | < 1/R > | 3.436918 | < 1/R**2 > | 15.970321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.759272 | .37934889 |
| 2 | 2s | 6.115831 | -.81212238 |
| 3 | 3s | 8.803828 | -.28433850 |
| 4 | 4s | 29.973312 | .00119479 |
| 5 | 5s | 17.242149 | -.01008388 |
| 6 | 5s | 6.828092 | .01838833 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424167 | < R2 > | .210459 | < 1/R > | 3.462196 | < 1/R**2 > | 48.460974 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173247 | .93481591 |
| 2 | 1s | 23.821032 | .06250514 |
| 3 | 2s | 14.429910 | .02451714 |
| 4 | 3s | 23.257862 | -.00854728 |
| 5 | 4s | 19.239403 | -.01189955 |
| 6 | 5s | 41.303593 | .00070635 |
| 7 | 5s | 8.254813 | .00004077 |
| 8 | 3s | 71.192052 | -.00003571 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096361 | < R2 > | .012435 | < 1/R > | 15.647492 | < 1/R**2 > | 492.757391 |
Total Energy= -318.85494499 a.u.
Kinetic Energy= 318.85068238 a.u.
Potential Energy= -637.70562737 a.u.
Virial Ratio = -2.00001337