(1s 2 2s 1 4p 1 ) 3 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 6.060484 | .49216790 |
| 2 | 3p | 3.483203 | -1.01871747 |
| 3 | 5p | 3.232020 | 1.55363424 |
| 4 | 4p | 4.996459 | -.40753958 |
| 5 | 5p | 7.153027 | .10434065 |
| 6 | 4p | 15.974158 | -.01126937 |
| 7 | 5p | 33.813635 | -.00159089 |
| 8 | 4p | 47.539875 | -.00050145 |
| 9 | 3p | 1.921523 | .01459514 |
| 10 | 3p | 72.673300 | -.00003377 |
| ORB.ENERGY,a.u. | -4.644700 | ||
| NORM | 1.000001 | < R > | 1.858341 | < R2 > | 3.916050 | < 1/R > | .775162 | < 1/R**2 > | 1.652490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.158605 | .43099763 |
| 2 | 2s | 6.599378 | -.80423894 |
| 3 | 3s | 7.444435 | -.30722847 |
| 4 | 5s | 13.375175 | -.03031940 |
| 5 | 4s | 28.368985 | .00479154 |
| 6 | 5s | 38.419983 | -.00120099 |
| 7 | 4s | 1.554826 | .00306802 |
| 8 | 3s | 70.807251 | .00002990 |
| 9 | 5s | 1.791405 | -.00279305 |
| ORB.ENERGY,a.u. | -21.793000 | ||
| NORM | 1.000000 | < R > | .437725 | < R2 > | .223471 | < 1/R > | 3.369130 | < 1/R**2 > | 45.752691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.416349 | .93947836 |
| 2 | 1s | 22.986132 | .04836326 |
| 3 | 2s | 17.519123 | .01664080 |
| 4 | 3s | 8.631464 | .00076264 |
| 5 | 4s | 59.015425 | -.00051744 |
| 6 | 5s | 78.562260 | .00019374 |
| 7 | 5s | 17.560044 | .00079450 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102719 | < R2 > | .014123 | < 1/R > | 14.672880 | < 1/R**2 > | 433.181954 |
Total Energy= -242.77499451 a.u.
Kinetic Energy= 242.78054352 a.u.
Potential Energy= -485.55553803 a.u.
Virial Ratio = -1.99997714