(1s 2 2s 2 2p 4 4s 1 ) 2 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 12.513558 | .08440424 |
| 2 | 2s | 2.662745 | -1.40152480 |
| 3 | 3s | 2.773067 | 2.68768153 |
| 4 | 4s | 1.941577 | -1.73235713 |
| 5 | 5s | 4.170473 | -.18795905 |
| 6 | 4s | 13.191583 | -.01358180 |
| 7 | 5s | 33.082486 | -.00036045 |
| 8 | 5s | 1.659602 | .04070505 |
| 9 | 4s | 52.325553 | -.00008928 |
| 10 | 4s | 1.067188 | -.00245744 |
| ORB.ENERGY,a.u. | -1.962700 | ||
| NORM | 1.000000 | < R > | 2.694909 | < R2 > | 8.152604 | < 1/R > | .518131 | < 1/R**2 > | 2.049464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.146092 | 1.17560753 |
| 2 | 3p | 5.987132 | -.24390975 |
| 3 | 2p | 11.592823 | .06560888 |
| 4 | 4p | 13.671605 | .01174230 |
| 5 | 5p | 2.914301 | .00011333 |
| 6 | 5p | 35.090633 | -.00015624 |
| ORB.ENERGY,a.u. | -10.790000 | ||
| NORM | 1.000000 | < R > | .441273 | < R2 > | .238970 | < 1/R > | 2.911183 | < 1/R**2 > | 11.681776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.139266 | .33938752 |
| 2 | 2s | 5.378262 | -.77547147 |
| 3 | 3s | 8.182395 | -.23957683 |
| 4 | 4s | 6.206546 | -.06686810 |
| 5 | 5s | 17.542688 | -.00962457 |
| 6 | 5s | 2.108585 | -.00664750 |
| 7 | 3s | 3.611933 | .00933942 |
| 8 | 3s | 54.327015 | -.00006647 |
| 9 | 4s | 102.962822 | .00000938 |
| 10 | 4s | 1.159128 | .00010076 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .488797 | < R2 > | .281678 | < 1/R > | 2.988687 | < 1/R**2 > | 36.526185 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208320 | .92378117 |
| 2 | 1s | 21.029486 | .07270929 |
| 3 | 2s | 9.181227 | .01991778 |
| 4 | 3s | 11.174729 | -.01935935 |
| 5 | 4s | 13.434697 | .00909436 |
| 6 | 5s | 36.396206 | .00068559 |
| 7 | 4s | 75.892321 | -.00004744 |
| 8 | 5s | 2.287748 | .00187523 |
| 9 | 4s | 2.079404 | -.00158287 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014399 | < 1/R > | 14.596343 | < 1/R**2 > | 429.638885 |
Total Energy= -318.66180689 a.u.
Kinetic Energy= 318.64722454 a.u.
Potential Energy= -637.30903143 a.u.
Virial Ratio = -2.00004576