(1s 2 2s 2 5d 1 ) 2 D Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.523655 | 2.46592521 |
| 2 | 4d | 1.380066 | -8.47602940 |
| 3 | 5d | 1.420948 | 6.69717222 |
| 4 | 3d | 3.497874 | .07550355 |
| 5 | 5d | 5.572147 | -.01629585 |
| 6 | 4d | 20.233643 | .00035862 |
| 7 | 5d | 1.208894 | .05917332 |
| 8 | 5d | 26.738541 | -.00018652 |
| 9 | 4d | .446015 | -.00017331 |
| ORB.ENERGY,a.u. | -.999900 | ||
| NORM | .999996 | < R > | 4.819428 | < R2 > | 26.370734 | < 1/R > | .289018 | < 1/R**2 > | .172906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.390554 | .36618830 |
| 2 | 2s | 4.255203 | -.78395796 |
| 3 | 3s | 5.436381 | -.28383611 |
| 4 | 5s | 10.515507 | -.02362558 |
| 5 | 4s | 21.542422 | .00371455 |
| 6 | 5s | 30.973570 | -.00067901 |
| 7 | 4s | 2.188314 | .00011830 |
| ORB.ENERGY,a.u. | -9.273200 | ||
| NORM | 1.000000 | < R > | .636495 | < R2 > | .473665 | < 1/R > | 2.288921 | < 1/R**2 > | 21.124944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.348526 | .94529841 |
| 2 | 1s | 17.420729 | .05313145 |
| 3 | 2s | 10.594569 | .01979246 |
| 4 | 3s | 12.826232 | -.01575404 |
| 5 | 5s | 23.676074 | .00147844 |
| 6 | 4s | 54.105365 | -.00010190 |
| ORB.ENERGY,a.u. | -49.593000 |
| NORM | 1.000000 | < R > | .141458 | < R2 > | .026817 | < 1/R > | 10.672442 | < 1/R**2 > | 229.676830 |
Total Energy= -135.79009262 a.u.
Kinetic Energy= 135.78822152 a.u.
Potential Energy= -271.57831414 a.u.
Virial Ratio = -2.00001378