(1s 2 2s 2 2p 2 3s 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 8.559054 | .11039407 |
| 2 | 2s | 2.720749 | -.56877084 |
| 3 | 3s | 1.692759 | 1.24140187 |
| 4 | 4s | 7.569714 | -.02692252 |
| 5 | 5s | 13.276514 | -.00198701 |
| 6 | 4s | 30.902575 | -.00006933 |
| 7 | 5s | .849869 | .00017208 |
| ORB.ENERGY,a.u. | -1.331500 | ||
| NORM | 1.000000 | < R > | 2.311974 | < R2 > | 6.001190 | < 1/R > | .569256 | < 1/R**2 > | 1.741045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.163563 | .77902920 |
| 2 | 2p | 5.335043 | .21024460 |
| 3 | 2p | 10.817759 | .01211778 |
| 4 | 3p | 4.566758 | .04353749 |
| 5 | 4p | 3.783048 | -.01953346 |
| 6 | 4p | 11.835040 | .00564909 |
| 7 | 5p | 17.101485 | -.00141538 |
| 8 | 4p | 46.755765 | .00002811 |
| 9 | 5p | 1.629698 | -.00019194 |
| ORB.ENERGY,a.u. | -4.063500 | ||
| NORM | 1.000000 | < R > | .703170 | < R2 > | .606168 | < 1/R > | 1.826430 | < 1/R**2 > | 4.604807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.171435 | .35512015 |
| 2 | 2s | 3.951160 | -.85000727 |
| 3 | 3s | 3.617473 | -.28318222 |
| 4 | 4s | 11.587565 | .01621783 |
| 5 | 3s | 13.469315 | .00809476 |
| 6 | 5s | 2.131978 | .01306665 |
| 7 | 5s | 22.384271 | .00086810 |
| 8 | 3s | .494814 | .00005395 |
| 9 | 2s | 75.222313 | .00000302 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .760886 | < R2 > | .680080 | < 1/R > | 1.898095 | < 1/R**2 > | 14.644395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.431391 | .01520717 |
| 2 | 1s | 8.705472 | .60646952 |
| 3 | 1s | 13.272814 | .29818321 |
| 4 | 2s | 10.387728 | .13309208 |
| 5 | 3s | 10.929042 | -.04040154 |
| 6 | 4s | 18.576599 | .00337618 |
| 7 | 5s | 2.357103 | -.00095070 |
| 8 | 5s | 66.716351 | -.00002161 |
| 9 | 4s | 6.323146 | .00104921 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157033 | < R2 > | .033151 | < 1/R > | 9.639799 | < 1/R**2 > | 187.833941 |
Total Energy= -121.89691748 a.u.
Kinetic Energy= 121.87384031 a.u.
Potential Energy= -243.77075778 a.u.
Virial Ratio = -2.00018935