(1s 2 2s 2 2p 1 5p 1 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 2.649890 | .20900244 |
| 2 | 3p | 1.294373 | -2.30118759 |
| 3 | 4p | 1.126154 | 5.70593282 |
| 4 | 5p | 1.052929 | -4.17031395 |
| 5 | 2p | 11.123475 | .00417636 |
| 6 | 4p | 9.611589 | .00788826 |
| 7 | 5p | 2.327541 | -.09107383 |
| 8 | 3p | 11.557204 | .00357935 |
| ORB.ENERGY,a.u. | -.551030 | ||
| NORM | .999996 | < R > | 6.611610 | < R2 > | 49.133717 | < 1/R > | .203322 | < 1/R**2 > | .101132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.630068 | .93003588 |
| 2 | 3p | .802437 | -.25018986 |
| 3 | 2p | 7.775535 | .07053189 |
| 4 | 5p | 1.427292 | .24207144 |
| 5 | 4p | 8.365463 | .02708049 |
| 6 | 3p | 9.005969 | .00034976 |
| 7 | 4p | .592778 | .00473171 |
| 8 | 5p | 25.412145 | -.00018961 |
| ORB.ENERGY,a.u. | -5.582000 | ||
| NORM | 1.000000 | < R > | .672039 | < R2 > | .670919 | < 1/R > | 1.937611 | < 1/R**2 > | 5.127350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.890891 | .32365585 |
| 2 | 2s | 3.361869 | -.79367320 |
| 3 | 3s | 5.255220 | -.27192851 |
| 4 | 4s | 17.867809 | .00253111 |
| 5 | 5s | 10.331938 | -.01441127 |
| 6 | 5s | 3.783083 | .02212434 |
| 7 | 4s | 35.453843 | .00005817 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738960 | < R2 > | .641008 | < 1/R > | 1.960950 | < 1/R**2 > | 15.582552 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.686445 | .00030271 |
| 2 | 1s | 9.270984 | .89169832 |
| 3 | 1s | 13.710166 | .10448958 |
| 4 | 2s | 7.448246 | .01494980 |
| 5 | 3s | 10.877167 | -.00733336 |
| 6 | 4s | 18.674313 | .00418029 |
| 7 | 5s | 10.262147 | -.00187726 |
| 8 | 5s | 37.042788 | .00007863 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156639 | < R2 > | .032942 | < 1/R > | 9.654804 | < 1/R**2 > | 188.283594 |
Total Energy= -116.46682279 a.u.
Kinetic Energy= 116.46178865 a.u.
Potential Energy= -232.92861144 a.u.
Virial Ratio = -2.00004323