(1s 2 2s 2 2p 1 5d 1 ) 3 F O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | .757434 | 1.51899660 |
| 2 | 4d | .680509 | -3.94924114 |
| 3 | 5d | .604616 | 2.96130384 |
| 4 | 3d | 2.596334 | .04905307 |
| 5 | 4d | .614714 | .07043469 |
| 6 | 5d | 2.197748 | .03884517 |
| 7 | 4d | 21.222511 | .00001324 |
| ORB.ENERGY,a.u. | -.187700 | ||
| NORM | 1.000007 | < R > | 10.952836 | < R2 > | 136.559912 | < 1/R > | .129846 | < 1/R**2 > | .037343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.622459 | .86062654 |
| 2 | 2p | 4.386650 | .13465602 |
| 3 | 2p | 9.271340 | .00806073 |
| 4 | 3p | 1.270133 | -.00240884 |
| 5 | 4p | 2.480918 | .03073988 |
| 6 | 4p | 13.626356 | -.00073074 |
| ORB.ENERGY,a.u. | -2.696800 | ||
| NORM | 1.000000 | < R > | .910731 | < R2 > | 1.015651 | < 1/R > | 1.408611 | < 1/R**2 > | 2.737815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.276368 | .28871988 |
| 2 | 2s | 2.441874 | -.75892144 |
| 3 | 3s | 4.093247 | -.28518262 |
| 4 | 4s | 12.829832 | .00235615 |
| 5 | 5s | 8.319688 | -.01803995 |
| 6 | 5s | 2.827595 | .02741799 |
| 7 | 4s | 18.460278 | .00056374 |
| 8 | 4s | 3.178199 | -.01047462 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983371 | < R2 > | 1.139347 | < 1/R > | 1.460876 | < 1/R**2 > | 8.641020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355582 | .73315751 |
| 2 | 1s | 10.722390 | .19846937 |
| 3 | 1s | 3.590299 | .00391329 |
| 4 | 2s | 7.715315 | .09867279 |
| 5 | 3s | 8.678223 | -.02316712 |
| 6 | 4s | 14.550821 | .00528318 |
| 7 | 5s | 28.268548 | .00015018 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197789 | < R2 > | .052602 | < 1/R > | 7.660482 | < 1/R**2 > | 118.808648 |
Total Energy= -71.28028227 a.u.
Kinetic Energy= 71.28241091 a.u.
Potential Energy= -142.56269318 a.u.
Virial Ratio = -1.99997014