(1s 2 2s 2 2p 1 ) 2 P P 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 6.226182 | .97357247 |
| 2 | 2p | 11.397720 | .03043333 |
| 3 | 2p | 18.433152 | .00490736 |
| 4 | 3p | 6.478042 | .02635426 |
| 5 | 4p | 9.133196 | -.02911228 |
| 6 | 5p | 35.864732 | -.00021022 |
| 7 | 5p | 6.231807 | .00472674 |
| ORB.ENERGY,a.u. | -17.612000 | ||
| NORM | 1.000000 | < R > | .396528 | < R2 > | .190297 | < 1/R > | 3.187417 | < 1/R**2 > | 13.748212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.891161 | .37568591 |
| 2 | 2s | 5.732114 | -.80729146 |
| 3 | 3s | 8.028996 | -.28679808 |
| 4 | 4s | 5.743643 | .01770172 |
| 5 | 5s | 16.085725 | -.01213779 |
| 6 | 4s | 28.628790 | .00110928 |
| ORB.ENERGY,a.u. | -29.289000 | ||
| NORM | 1.000000 | < R > | .456190 | < R2 > | .243486 | < 1/R > | 3.214564 | < 1/R**2 > | 41.791197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.124579 | .93269777 |
| 2 | 1s | 21.951668 | .06954870 |
| 3 | 2s | 12.151544 | .02116004 |
| 4 | 3s | 17.917237 | -.01513633 |
| 5 | 5s | 36.381923 | .00105197 |
| 6 | 4s | 15.631000 | -.00759574 |
| 7 | 4s | 94.269025 | -.00002537 |
| ORB.ENERGY,a.u. | -95.263000 |
| NORM | 1.000000 | < R > | .102967 | < R2 > | .014203 | < 1/R > | 14.648381 | < 1/R**2 > | 432.015580 |
Total Energy= -276.09573200 a.u.
Kinetic Energy= 276.09571989 a.u.
Potential Energy= -552.19145190 a.u.
Virial Ratio = -2.00000004