(1s 2 2s 2 2p 2 4p 1 ) 4 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 6.926103 | .26072841 |
| 2 | 3p | 2.224011 | -.52884745 |
| 3 | 5p | 2.615233 | 1.40007698 |
| 4 | 4p | 3.890057 | -.63687777 |
| 5 | 5p | 8.702145 | .02467565 |
| 6 | 4p | 21.039020 | -.00241294 |
| 7 | 5p | 2.288458 | .19690235 |
| 8 | 5p | 48.195932 | -.00023261 |
| 9 | 4p | 75.800400 | -.00004272 |
| ORB.ENERGY,a.u. | -2.816700 | ||
| NORM | 1.000000 | < R > | 2.299035 | < R2 > | 5.978547 | < 1/R > | .616018 | < 1/R**2 > | 1.070672 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.817332 | 1.15596383 |
| 2 | 3p | 6.881899 | -.17819416 |
| 3 | 2p | 14.527794 | .01940243 |
| 4 | 4p | 16.336576 | .00500234 |
| 5 | 5p | 27.642780 | -.00051577 |
| 6 | 5p | 2.231819 | -.00045036 |
| 7 | 4p | 79.301383 | .00001130 |
| ORB.ENERGY,a.u. | -15.018000 | ||
| NORM | 1.000000 | < R > | .409574 | < R2 > | .203805 | < 1/R > | 3.099687 | < 1/R**2 > | 13.068189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.906314 | .41231048 |
| 2 | 2s | 6.464337 | -.85441240 |
| 3 | 3s | 6.645747 | -.28055530 |
| 4 | 4s | 25.347996 | .00217559 |
| 5 | 3s | 13.807230 | .01881692 |
| 6 | 5s | 6.687277 | -.03071747 |
| 7 | 4s | 2.058191 | .00017715 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467538 | < R2 > | .256331 | < 1/R > | 3.131520 | < 1/R**2 > | 39.822624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.108794 | .92173168 |
| 2 | 1s | 21.591782 | .07718506 |
| 3 | 2s | 13.428603 | .01934161 |
| 4 | 3s | 16.739203 | -.01553472 |
| 5 | 5s | 35.616304 | .00099043 |
| 6 | 4s | 86.754884 | -.00003223 |
| 7 | 5s | 11.764276 | .00050464 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103199 | < R2 > | .014280 | < 1/R > | 14.627092 | < 1/R**2 > | 431.038537 |
Total Energy= -294.49788311 a.u.
Kinetic Energy= 294.50993858 a.u.
Potential Energy= -589.00782169 a.u.
Virial Ratio = -1.99995907