(1s 2 2s 2 2p 1 5p 1 ) 3 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 2.651563 | .15148450 |
| 2 | 3p | 1.294453 | -2.15308294 |
| 3 | 4p | 1.108847 | 6.10542513 |
| 4 | 5p | 1.068154 | -4.70060953 |
| 5 | 2p | 5.516613 | .06795525 |
| 6 | 5p | 5.990348 | .02609803 |
| 7 | 5p | 2.564876 | -.11107415 |
| 8 | 4p | 7.731466 | .01710852 |
| ORB.ENERGY,a.u. | -.558310 | ||
| NORM | .999995 | < R > | 6.540473 | < R2 > | 48.074330 | < 1/R > | .218929 | < 1/R**2 > | .170885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.581326 | .86986719 |
| 2 | 2p | 5.494846 | .14223672 |
| 3 | 2p | 11.312038 | .00858197 |
| 4 | 3p | 5.211563 | -.00957854 |
| 5 | 4p | 3.512368 | .00971180 |
| 6 | 4p | 18.157860 | -.00069360 |
| ORB.ENERGY,a.u. | -5.133700 | ||
| NORM | 1.000000 | < R > | .661922 | < R2 > | .533437 | < 1/R > | 1.923924 | < 1/R**2 > | 5.058824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.891831 | .32359751 |
| 2 | 2s | 3.360607 | -.79376106 |
| 3 | 3s | 5.256957 | -.27184965 |
| 4 | 4s | 17.904956 | .00251302 |
| 5 | 5s | 10.325762 | -.01448554 |
| 6 | 5s | 3.780985 | .02231381 |
| 7 | 4s | 35.801028 | .00005559 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738975 | < R2 > | .641035 | < 1/R > | 1.960910 | < 1/R**2 > | 15.581919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.576902 | .00026849 |
| 2 | 1s | 9.270957 | .89172055 |
| 3 | 1s | 13.709769 | .10449020 |
| 4 | 2s | 7.439975 | .01496195 |
| 5 | 3s | 10.853030 | -.00734585 |
| 6 | 4s | 18.662916 | .00417599 |
| 7 | 5s | 10.238255 | -.00186013 |
| 8 | 5s | 36.878840 | .00008008 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156639 | < R2 > | .032942 | < 1/R > | 9.654802 | < 1/R**2 > | 188.283507 |
Total Energy= -116.46407486 a.u.
Kinetic Energy= 116.46907478 a.u.
Potential Energy= -232.93314964 a.u.
Virial Ratio = -1.99995707