(1s 2 2s 2 2p 6 3s 1 ) 2 S S 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 14.346168 | .11508974 |
| 2 | 2s | 4.769043 | -.50390085 |
| 3 | 3s | 2.651866 | 1.10750193 |
| 4 | 4s | 3.509763 | .05841358 |
| 5 | 4s | 11.850654 | -.04164548 |
| 6 | 5s | 21.025807 | -.00409336 |
| 7 | 2s | 21.374244 | .00333506 |
| 8 | 1s | 1.081338 | .00305580 |
| ORB.ENERGY,a.u. | -3.218200 | ||
| NORM | 1.000000 | < R > | 1.429587 | < R2 > | 2.314879 | < 1/R > | .956644 | < 1/R**2 > | 5.404995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.759846 | .45421007 |
| 2 | 3p | 6.983628 | .47192980 |
| 3 | 5p | 5.039844 | .01281773 |
| 4 | 4p | 5.857347 | .15941711 |
| 5 | 2p | 14.773865 | .00895125 |
| 6 | 5p | 30.396312 | -.00047124 |
| 7 | 3p | 2.859143 | .00057600 |
| 8 | 3p | 48.192851 | .00016434 |
| 9 | 2p | 62.647483 | .00004312 |
| ORB.ENERGY,a.u. | -9.498700 | ||
| NORM | 1.000000 | < R > | .437542 | < R2 > | .237548 | < 1/R > | 2.971414 | < 1/R**2 > | 12.322027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.979540 | .36914906 |
| 2 | 2s | 6.447072 | -.86021173 |
| 3 | 3s | 5.583274 | -.27529085 |
| 4 | 4s | 26.308618 | .00120240 |
| 5 | 3s | 17.042622 | .00886791 |
| 6 | 5s | 3.885022 | -.00194907 |
| 7 | 2s | 57.611502 | .00001972 |
| ORB.ENERGY,a.u. | -11.839000 | ||
| NORM | 1.000000 | < R > | .473551 | < R2 > | .265683 | < 1/R > | 3.086555 | < 1/R**2 > | 39.206508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.574976 | 1.01261598 |
| 2 | 2s | 20.321444 | -.02159647 |
| 3 | 3s | 13.974571 | .01637527 |
| 4 | 4s | 55.250224 | -.00070639 |
| 5 | 4s | 6.515234 | .00236995 |
| 6 | 5s | 68.328310 | .00022010 |
| 7 | 5s | 7.142671 | -.00165332 |
| 8 | 2s | 32.163190 | -.00095601 |
| 9 | 3s | 95.155501 | -.00003014 |
| 10 | 3s | 2.332087 | -.00001689 |
| ORB.ENERGY,a.u. | -94.523000 |
| NORM | 1.000000 | < R > | .097124 | < R2 > | .012678 | < 1/R > | 15.569278 | < 1/R**2 > | 488.946170 |
Total Energy= -390.77441094 a.u.
Kinetic Energy= 390.77442843 a.u.
Potential Energy= -781.54883938 a.u.
Virial Ratio = -1.99999996