(1s 2 2s 2 2p 1 5p 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 3.822245 | .43714282 |
| 2 | 3p | 2.432656 | -3.51563152 |
| 3 | 4p | 2.062370 | 9.66617693 |
| 4 | 5p | 2.077314 | -7.08633963 |
| 5 | 2p | 9.723872 | .01966552 |
| 6 | 5p | 2.463922 | -.24875171 |
| 7 | 5p | 31.905330 | -.00034524 |
| 8 | 4p | 48.894735 | -.00005916 |
| ORB.ENERGY,a.u. | -2.130700 | ||
| NORM | 1.000000 | < R > | 3.421909 | < R2 > | 13.174191 | < 1/R > | .397565 | < 1/R**2 > | .405494 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.302781 | 1.16436793 |
| 2 | 3p | 1.531591 | -.57072914 |
| 3 | 3p | 8.595445 | -.16156309 |
| 4 | 4p | 2.406708 | .24909375 |
| 5 | 5p | 2.568481 | .23857768 |
| 6 | 5p | 13.219623 | .01126846 |
| 7 | 4p | 24.614591 | -.00234574 |
| 8 | 5p | 1.686926 | .09634921 |
| 9 | 3p | 29.271919 | -.00059175 |
| ORB.ENERGY,a.u. | -17.218000 | ||
| NORM | 1.000000 | < R > | .403415 | < R2 > | .236594 | < 1/R > | 3.212001 | < 1/R**2 > | 13.965691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.939298 | .37326306 |
| 2 | 2s | 5.671555 | -.80881809 |
| 3 | 3s | 8.192731 | -.28225135 |
| 4 | 4s | 28.092229 | .00137466 |
| 5 | 5s | 15.906120 | -.01070100 |
| 6 | 5s | 6.252606 | .01670571 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456559 | < R2 > | .243900 | < 1/R > | 3.211791 | < 1/R**2 > | 41.724188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165402 | .93110538 |
| 2 | 1s | 21.903549 | .06848376 |
| 3 | 2s | 13.075748 | .01916943 |
| 4 | 3s | 16.116549 | -.01647128 |
| 5 | 4s | 74.504067 | -.00006298 |
| 6 | 5s | 34.482655 | .00080649 |
| 7 | 5s | 8.755771 | .00005285 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102976 | < R2 > | .014206 | < 1/R > | 14.647527 | < 1/R**2 > | 431.975544 |
Total Energy= -278.22416721 a.u.
Kinetic Energy= 278.22501210 a.u.
Potential Energy= -556.44917930 a.u.
Virial Ratio = -1.99999696