(1s 2 2s 2 2p 4 3p 1 ) 2 S P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 4.667630 | .37925537 |
| 2 | 3p | 2.651301 | -.90343178 |
| 3 | 4p | 3.106188 | -.21450013 |
| 4 | 2p | 9.000717 | .09123679 |
| 5 | 5p | 13.794301 | .00402275 |
| 6 | 5p | 35.628617 | -.00038048 |
| 7 | 4p | 53.725457 | -.00006931 |
| 8 | 5p | 2.610783 | -.01311753 |
| ORB.ENERGY,a.u. | -3.397200 | ||
| NORM | 1.000000 | < R > | 1.429511 | < R2 > | 2.331600 | < 1/R > | .936515 | < 1/R**2 > | 1.870942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.121831 | 1.18757254 |
| 2 | 3p | 5.938116 | -.25701301 |
| 3 | 2p | 11.576647 | .06599116 |
| 4 | 4p | 13.545782 | .01159679 |
| 5 | 5p | 2.470244 | -.00030175 |
| 6 | 5p | 36.567923 | -.00014630 |
| ORB.ENERGY,a.u. | -10.360000 | ||
| NORM | 1.000000 | < R > | .441437 | < R2 > | .239168 | < 1/R > | 2.910313 | < 1/R**2 > | 11.675452 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.040026 | .38521765 |
| 2 | 2s | 6.251045 | -.84420871 |
| 3 | 3s | 5.707053 | -.29731519 |
| 4 | 4s | 16.453429 | .00829229 |
| 5 | 3s | 19.395628 | .00597001 |
| 6 | 5s | 29.756471 | .00088815 |
| 7 | 5s | 5.186281 | -.00703529 |
| 8 | 3s | 47.378765 | -.00008199 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .490990 | < R2 > | .284297 | < 1/R > | 2.975450 | < 1/R**2 > | 36.230109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.207907 | .92352116 |
| 2 | 1s | 20.989831 | .07302752 |
| 3 | 2s | 8.839293 | .02032907 |
| 4 | 3s | 10.764368 | -.02032654 |
| 5 | 4s | 13.223287 | .00956749 |
| 6 | 5s | 36.142700 | .00070866 |
| 7 | 4s | 77.270331 | -.00004628 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103560 | < R2 > | .014403 | < 1/R > | 14.594806 | < 1/R**2 > | 429.568315 |
Total Energy= -320.12084977 a.u.
Kinetic Energy= 320.08281526 a.u.
Potential Energy= -640.20366503 a.u.
Virial Ratio = -2.00011883