(1s 2 4p 1 ) 2 P P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | 6.499582 | .44514169 |
| 2 | 3p | 3.288283 | -1.04717242 |
| 3 | 5p | 3.489626 | 1.76920239 |
| 4 | 4p | 4.838750 | -.49438699 |
| 5 | 5p | 9.447985 | .02724491 |
| 6 | 4p | 20.874184 | -.00394149 |
| 7 | 5p | 2.857633 | .05074219 |
| 8 | 5p | 44.333766 | -.00014984 |
| 9 | 3p | 33.551093 | -.00034185 |
| ORB.ENERGY,a.u. | -5.328800 | ||
| NORM | 1.000001 | < R > | 1.754728 | < R2 > | 3.492994 | < 1/R > | .821607 | < 1/R**2 > | 1.831042 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.428753 | .93799334 |
| 2 | 1s | 22.678212 | .04990767 |
| 3 | 2s | 17.237027 | .01684901 |
| 4 | 3s | 14.847514 | .00089336 |
| 5 | 4s | 26.571342 | -.00054778 |
| 6 | 5s | 34.173269 | .00033133 |
| 7 | 3s | 39.534397 | -.00045237 |
| ORB.ENERGY,a.u. | -102.650000 |
| NORM | 1.000000 | < R > | .102595 | < R2 > | .014081 | < 1/R > | 14.684822 | < 1/R**2 > | 433.759494 |
Total Energy= -221.05909279 a.u.
Kinetic Energy= 221.05909836 a.u.
Potential Energy= -442.11819115 a.u.
Virial Ratio = -1.99999997