(1s 2 2s 2 2p 5 3p 1 ) 1 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 4.343551 | .47966515 |
| 2 | 3p | 2.372090 | -1.13282277 |
| 3 | 4p | 6.799029 | -.07203901 |
| 4 | 2p | 10.672214 | .04436632 |
| 5 | 5p | 17.800479 | .00280195 |
| 6 | 4p | 22.915669 | .00033524 |
| 7 | 4p | 1.147017 | -.00019617 |
| ORB.ENERGY,a.u. | -2.653800 | ||
| NORM | 1.000000 | < R > | 1.570465 | < R2 > | 2.814485 | < 1/R > | .848201 | < 1/R**2 > | 1.555046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.867350 | 1.22430222 |
| 2 | 3p | 5.766544 | -.30101060 |
| 3 | 2p | 11.260170 | .07559218 |
| 4 | 5p | 2.942202 | -.00155079 |
| 5 | 4p | 13.447670 | .01224734 |
| 6 | 5p | 35.793956 | -.00013154 |
| 7 | 5p | 3.499801 | .00168351 |
| ORB.ENERGY,a.u. | -8.778100 | ||
| NORM | 1.000000 | < R > | .459927 | < R2 > | .261257 | < 1/R > | 2.813892 | < 1/R**2 > | 11.003091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.146454 | .37109004 |
| 2 | 2s | 6.138074 | -.83315444 |
| 3 | 3s | 5.419892 | -.30262881 |
| 4 | 4s | 18.060892 | .00416017 |
| 5 | 3s | 17.309970 | .00695794 |
| 6 | 5s | 35.751736 | .00047740 |
| 7 | 5s | 4.703233 | -.00462160 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502623 | < R2 > | .298833 | < 1/R > | 2.904632 | < 1/R**2 > | 34.645949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.203129 | .92364945 |
| 2 | 1s | 21.022928 | .07264889 |
| 3 | 2s | 8.580503 | .02101451 |
| 4 | 3s | 10.642611 | -.02131468 |
| 5 | 4s | 13.322754 | .01080069 |
| 6 | 5s | 35.644162 | .00072383 |
| 7 | 4s | 77.843600 | -.00004641 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103690 | < R2 > | .014448 | < 1/R > | 14.583530 | < 1/R**2 > | 429.059136 |
Total Energy= -328.97790804 a.u.
Kinetic Energy= 328.96861888 a.u.
Potential Energy= -657.94652692 a.u.
Virial Ratio = -2.00002824