(1s 2 2s 2 2p 4 3p 1 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 2p | 4.071453 | .40572146 |
| 2 | 3p | 2.575079 | -1.03511811 |
| 3 | 4p | 3.059081 | -.14946959 |
| 4 | 2p | 9.182922 | .07060645 |
| 5 | 5p | 13.327767 | .00200208 |
| 6 | 5p | 33.348574 | -.00036503 |
| 7 | 4p | 49.618971 | -.00007308 |
| ORB.ENERGY,a.u. | -3.308800 | ||
| NORM | 1.000000 | < R > | 1.496440 | < R2 > | 2.519997 | < 1/R > | .845035 | < 1/R**2 > | 1.383213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.485454 | 1.43336031 |
| 2 | 3p | 7.103531 | -.56600933 |
| 3 | 4p | 8.732890 | .12751708 |
| 4 | 5p | 3.375867 | -.01938727 |
| 5 | 5p | 16.945575 | .00606487 |
| 6 | 4p | 37.128850 | -.00018395 |
| 7 | 4p | 2.155583 | -.00173927 |
| ORB.ENERGY,a.u. | -10.271000 | ||
| NORM | 1.000000 | < R > | .436463 | < R2 > | .232222 | < 1/R > | 2.928210 | < 1/R**2 > | 11.779818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.092756 | .38277578 |
| 2 | 2s | 6.239414 | -.84240142 |
| 3 | 3s | 5.727612 | -.29620562 |
| 4 | 4s | 16.955851 | .00914086 |
| 5 | 3s | 20.696883 | .00594053 |
| 6 | 5s | 29.637976 | .00081594 |
| 7 | 5s | 5.298365 | -.00759660 |
| 8 | 2s | 58.064478 | .00003453 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .490835 | < R2 > | .284071 | < 1/R > | 2.976121 | < 1/R**2 > | 36.243507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208061 | .92355648 |
| 2 | 1s | 20.991589 | .07299571 |
| 3 | 2s | 8.848916 | .02030317 |
| 4 | 3s | 10.774205 | -.02030434 |
| 5 | 4s | 13.218597 | .00957349 |
| 6 | 5s | 36.147351 | .00070860 |
| 7 | 4s | 77.247532 | -.00004617 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103559 | < R2 > | .014403 | < 1/R > | 14.594936 | < 1/R**2 > | 429.574864 |
Total Energy= -320.09350778 a.u.
Kinetic Energy= 319.99485302 a.u.
Potential Energy= -640.08836080 a.u.
Virial Ratio = -2.00030830