(1s 2 2s 2 2p 1 3p 1 ) 1 P F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | 1.546687 | -1.18027514 |
| 2 | 2p | 2.575389 | .49672586 |
| 3 | 2p | 6.349910 | .04708681 |
| 4 | 4p | 7.589423 | .01445692 |
| 5 | 5p | 4.450428 | -.02886496 |
| ORB.ENERGY,a.u. | -1.143300 | ||
| NORM | 1.000000 | < R > | 2.446245 | < R2 > | 6.822922 | < 1/R > | .544280 | < 1/R**2 > | .620603 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.101149 | .85748252 |
| 2 | 2p | 4.924306 | .14383952 |
| 3 | 2p | 10.302633 | .00855045 |
| 4 | 3p | 3.459362 | -.00281569 |
| 5 | 4p | 3.088942 | .01869566 |
| 6 | 4p | 15.953087 | -.00064760 |
| ORB.ENERGY,a.u. | -3.743200 | ||
| NORM | 1.000000 | < R > | .764571 | < R2 > | .713425 | < 1/R > | 1.670557 | < 1/R**2 > | 3.828568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.035322 | .30907515 |
| 2 | 2s | 2.929389 | -.79841402 |
| 3 | 3s | 4.494232 | -.28475373 |
| 4 | 4s | 16.057841 | .00325825 |
| 5 | 5s | 8.530577 | -.01829089 |
| 6 | 5s | 6.480429 | .01872302 |
| 7 | 4s | 35.039857 | .00006399 |
| 8 | 4s | 3.410254 | .02878932 |
| 9 | 3s | 1.071762 | -.00026089 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .848162 | < R2 > | .846795 | < 1/R > | 1.702247 | < 1/R**2 > | 11.750096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.932022 | .00182133 |
| 2 | 1s | 8.045910 | .85141126 |
| 3 | 1s | 12.621830 | .14431594 |
| 4 | 2s | 10.929465 | .02099139 |
| 5 | 3s | 9.748219 | -.01589549 |
| 6 | 4s | 16.416233 | .00399904 |
| 7 | 5s | 62.317322 | -.00002336 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174897 | < R2 > | .041102 | < 1/R > | 8.655306 | < 1/R**2 > | 151.491526 |
Total Energy= -93.22825821 a.u.
Kinetic Energy= 93.26988090 a.u.
Potential Energy= -186.49813911 a.u.
Virial Ratio = -1.99955374