(1s 2 2s 2 2p 2 3p 1 ) 4 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 4.937223 | .70252270 |
| 2 | 3p | 3.217567 | -1.29032672 |
| 3 | 2p | 12.338836 | .02683600 |
| 4 | 4p | 7.758731 | -.06809362 |
| 5 | 5p | 18.971331 | .00233945 |
| 6 | 5p | 3.311425 | .02282246 |
| ORB.ENERGY,a.u. | -5.274900 | ||
| NORM | 1.000000 | < R > | 1.188239 | < R2 > | 1.618085 | < 1/R > | 1.150362 | < 1/R**2 > | 2.774891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.622726 | 1.24675270 |
| 2 | 3p | 6.522405 | -.26805082 |
| 3 | 2p | 14.322543 | .02091905 |
| 4 | 4p | 16.028127 | .00404732 |
| 5 | 5p | 32.717761 | -.00029633 |
| 6 | 5p | 4.524671 | .02225572 |
| 7 | 4p | 4.247120 | -.02997667 |
| ORB.ENERGY,a.u. | -14.588000 | ||
| NORM | 1.000000 | < R > | .410915 | < R2 > | .205471 | < 1/R > | 3.093048 | < 1/R**2 > | 13.022364 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.947845 | .40901208 |
| 2 | 2s | 6.420490 | -.85545729 |
| 3 | 3s | 6.549827 | -.28092532 |
| 4 | 4s | 24.950723 | .00211323 |
| 5 | 3s | 14.271254 | .01611234 |
| 6 | 5s | 6.252164 | -.02352201 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .468943 | < R2 > | .258056 | < 1/R > | 3.122509 | < 1/R**2 > | 39.615549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.106624 | .92228614 |
| 2 | 1s | 21.641178 | .07666240 |
| 3 | 2s | 13.482596 | .01934351 |
| 4 | 3s | 16.761584 | -.01552540 |
| 5 | 5s | 35.381269 | .00090830 |
| 6 | 4s | 81.939016 | -.00004091 |
| 7 | 5s | 12.613530 | .00059845 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103223 | < R2 > | .014288 | < 1/R > | 14.624828 | < 1/R**2 > | 430.933415 |
Total Energy= -296.89101032 a.u.
Kinetic Energy= 296.96566846 a.u.
Potential Energy= -593.85667877 a.u.
Virial Ratio = -1.99974860