(1s 2 2s 1 2p 1 ) 3 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 3.847419 | .93858632 |
| 2 | 2p | 6.509400 | .08798527 |
| 3 | 3p | 9.145025 | -.02126761 |
| 4 | 4p | 5.791652 | .00389532 |
| 5 | 5p | 3.559810 | .00085194 |
| 6 | 5p | 24.231348 | -.00021056 |
| ORB.ENERGY,a.u. | -7.092600 | ||
| NORM | 1.000000 | < R > | .632382 | < R2 > | .483336 | < 1/R > | 1.997450 | < 1/R**2 > | 5.405911 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.123606 | .38899140 |
| 2 | 2s | 4.082532 | -.86987908 |
| 3 | 3s | 4.624182 | -.25660985 |
| 4 | 4s | 11.731836 | .04083855 |
| 5 | 5s | 14.046621 | -.01140437 |
| 6 | 5s | 4.370445 | -.01668213 |
| 7 | 3s | 15.636037 | .00479731 |
| ORB.ENERGY,a.u. | -7.685300 | ||
| NORM | 1.000000 | < R > | .708580 | < R2 > | .586655 | < 1/R > | 2.052632 | < 1/R**2 > | 17.028500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.147839 | .88214148 |
| 2 | 1s | 13.744516 | .11955932 |
| 3 | 2s | 7.969844 | .01977376 |
| 4 | 3s | 9.958435 | -.01960260 |
| 5 | 4s | 17.914471 | .00289430 |
| 6 | 5s | 7.366384 | -.00054223 |
| 7 | 5s | 50.221191 | -.00007595 |
| 8 | 3s | 48.471225 | -.00005064 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156476 | < R2 > | .032856 | < 1/R > | 9.661636 | < 1/R**2 > | 188.503993 |
Total Energy= -109.58920867 a.u.
Kinetic Energy= 109.72103167 a.u.
Potential Energy= -219.31024034 a.u.
Virial Ratio = -1.99879856