(1s 2 2s 2 2p 3 ) 2 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 2p- electron | |
| 1 | 2p | 5.614138 | 1.19040984 |
| 2 | 3p | 6.917416 | -.21520466 |
| 3 | 2p | 13.837620 | .02292305 |
| 4 | 4p | 15.589130 | .00483495 |
| 5 | 5p | 33.234420 | -.00024914 |
| 6 | 5p | 4.590823 | .00302916 |
| 7 | 4p | 3.372853 | -.00098161 |
| ORB.ENERGY,a.u. | -13.338000 | ||
| NORM | 1.000000 | < R > | .425133 | < R2 > | .220660 | < 1/R > | 3.003737 | < 1/R**2 > | 12.354176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.009384 | .39777799 |
| 2 | 2s | 6.337610 | -.84832989 |
| 3 | 3s | 6.259043 | -.28137651 |
| 4 | 4s | 25.053897 | .00213243 |
| 5 | 3s | 14.377035 | .01392764 |
| 6 | 5s | 6.328616 | -.02314296 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .477762 | < R2 > | .268236 | < 1/R > | 3.060624 | < 1/R**2 > | 38.171517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.097213 | .92488158 |
| 2 | 1s | 21.886617 | .07407328 |
| 3 | 2s | 13.858451 | .01955953 |
| 4 | 3s | 17.640833 | -.01476990 |
| 5 | 5s | 34.899510 | .00102688 |
| 6 | 4s | 21.165344 | -.00083781 |
| 7 | 5s | 11.874147 | .00107625 |
| 8 | 3s | 56.401668 | -.00009230 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103372 | < R2 > | .014339 | < 1/R > | 14.611661 | < 1/R**2 > | 430.335765 |
Total Energy= -305.38967881 a.u.
Kinetic Energy= 305.02441635 a.u.
Potential Energy= -610.41409516 a.u.
Virial Ratio = -2.00119749