(1s 2 2s 2 2p 2 4p 1 ) 2 P F 2+
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 | 3.365030 | .12531650 |
| 2 | 3p | .903192 | -1.46025833 |
| 3 | 4p | .811620 | 2.37081113 |
| 4 | 5p | 1.701454 | -.19834666 |
| 5 | 2p | 9.537453 | .00188294 |
| 6 | 5p | .811582 | -.28815172 |
| 7 | 5p | 3.891209 | .04794873 |
| ORB.ENERGY,a.u. | -.340200 | ||
| NORM | .999999 | < R > | 6.341389 | < R2 > | 45.283839 | < 1/R > | .205239 | < 1/R**2 > | .094659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.783443 | .79506910 |
| 2 | 2p | 4.801845 | .20961242 |
| 3 | 2p | 10.625290 | .00654879 |
| 4 | 3p | .954714 | -.04607059 |
| 5 | 5p | 18.067206 | -.00042223 |
| 6 | 4p | .845591 | .05675739 |
| 7 | 4p | 5.019788 | .01645735 |
| 8 | 3p | 2.254319 | .01496101 |
| 9 | 4p | 21.463587 | -.00012070 |
| ORB.ENERGY,a.u. | -2.937700 | ||
| NORM | 1.000000 | < R > | .814910 | < R2 > | .838172 | < 1/R > | 1.584418 | < 1/R**2 > | 3.476899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.439405 | .33294326 |
| 2 | 2s | 3.412021 | -.85191290 |
| 3 | 3s | 3.077163 | -.26021266 |
| 4 | 5s | 21.258693 | .00072820 |
| 5 | 4s | 10.721986 | .01677122 |
| 6 | 3s | 12.347131 | .00741177 |
| 7 | 5s | 3.101507 | -.00931251 |
| 8 | 3s | .691891 | .00014376 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881409 | < R2 > | .918421 | < 1/R > | 1.635367 | < 1/R**2 > | 10.890228 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.277011 | .68788177 |
| 2 | 1s | 12.189201 | .22287257 |
| 3 | 1s | 2.761293 | .00556841 |
| 4 | 2s | 9.050708 | .12791813 |
| 5 | 3s | 10.151724 | -.02777813 |
| 6 | 4s | 16.996422 | .00349367 |
| 7 | 5s | 4.829025 | -.00114686 |
| 8 | 5s | 54.950304 | -.00002663 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175239 | < R2 > | .041304 | < 1/R > | 8.644998 | < 1/R**2 > | 151.217353 |
Total Energy= -95.66854100 a.u.
Kinetic Energy= 95.65978833 a.u.
Potential Energy= -191.32832934 a.u.
Virial Ratio = -2.00009150