(1s 2 2s 2 2p 1 3d 1 ) 3 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | 3.825596 | .94215925 |
| 2 | 3d | 7.567175 | .03838415 |
| 3 | 4d | 3.211566 | .04418275 |
| 4 | 5d | 23.572859 | -.00025633 |
| 5 | 5d | 2.901399 | -.01072156 |
| 6 | 4d | 63.236840 | .00000311 |
| 7 | 4d | 2.100999 | .00224328 |
| ORB.ENERGY,a.u. | -6.906000 | ||
| NORM | 1.000000 | < R > | .911632 | < R2 > | .956318 | < 1/R > | 1.292025 | < 1/R**2 > | 2.030032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.649929 | 1.07999103 |
| 2 | 3p | 8.156370 | -.09799830 |
| 3 | 2p | 15.766959 | .01389188 |
| 4 | 5p | 18.580342 | .00278785 |
| 5 | 4p | 33.830735 | -.00029812 |
| 6 | 5p | 6.683020 | .00927434 |
| 7 | 5p | 109.923155 | -.00000368 |
| 8 | 4p | 6.299313 | -.00092723 |
| ORB.ENERGY,a.u. | -19.441000 | ||
| NORM | 1.000000 | < R > | .369337 | < R2 > | .165310 | < 1/R > | 3.425156 | < 1/R**2 > | 15.881094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.785303 | .37691654 |
| 2 | 2s | 6.086082 | -.80963969 |
| 3 | 3s | 8.854865 | -.28262177 |
| 4 | 4s | 29.980952 | .00118512 |
| 5 | 5s | 17.212990 | -.01007985 |
| 6 | 5s | 6.776516 | .01376934 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425776 | < R2 > | .212247 | < 1/R > | 3.449511 | < 1/R**2 > | 48.137403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.170683 | .93466406 |
| 2 | 1s | 23.743676 | .06301400 |
| 3 | 2s | 14.239006 | .02420915 |
| 4 | 3s | 22.681525 | -.00903911 |
| 5 | 4s | 18.961859 | -.01151664 |
| 6 | 5s | 40.734202 | .00074548 |
| 7 | 5s | 8.085400 | .00004419 |
| 8 | 3s | 69.355414 | -.00004100 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096360 | < R2 > | .012435 | < 1/R > | 15.647600 | < 1/R**2 > | 492.763887 |
Total Energy= -323.33135097 a.u.
Kinetic Energy= 323.28929733 a.u.
Potential Energy= -646.62064830 a.u.
Virial Ratio = -2.00013008