(1s 2 2s 2 5p 1 ) 2 P S 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.894310 | 3.97563924 |
| 2 | 3p | 3.030606 | -5.51337484 |
| 3 | 4p | 2.462252 | 6.61519365 |
| 4 | 5p | 2.423958 | -6.21840582 |
| 5 | 2p | 9.571313 | .05581894 |
| 6 | 5p | 10.024762 | .01937272 |
| 7 | 4p | 13.172250 | .01273003 |
| 8 | 5p | 1.367723 | -.00065541 |
| ORB.ENERGY,a.u. | -2.995600 | ||
| NORM | .999998 | < R > | 2.926462 | < R2 > | 9.639509 | < 1/R > | .499165 | < 1/R**2 > | .870765 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.415685 | .40287363 |
| 2 | 2s | 6.524383 | -.81381747 |
| 3 | 3s | 8.546730 | -.28769072 |
| 4 | 5s | 15.767697 | -.01481729 |
| 5 | 4s | 31.497476 | .00236177 |
| 6 | 5s | 46.293525 | -.00036061 |
| 7 | 5s | 6.867425 | .00607752 |
| ORB.ENERGY,a.u. | -3.762800 | ||
| NORM | 1.000000 | < R > | .415444 | < R2 > | .201559 | < 1/R > | 3.540413 | < 1/R**2 > | 50.486061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.143791 | .93464925 |
| 2 | 1s | 23.988223 | .06397848 |
| 3 | 2s | 16.590804 | .01958213 |
| 4 | 3s | 18.152993 | -.01675461 |
| 5 | 5s | 36.133611 | .00093284 |
| 6 | 4s | 81.481270 | -.00005765 |
| 7 | 5s | 16.187475 | -.00020188 |
| ORB.ENERGY,a.u. | -112.040000 |
| NORM | 1.000000 | < R > | .096152 | < R2 > | .012370 | < 1/R > | 15.669544 | < 1/R**2 > | 493.841197 |
Total Energy= -298.67158092 a.u.
Kinetic Energy= 298.67156490 a.u.
Potential Energy= -597.34314582 a.u.
Virial Ratio = -2.00000005