(1s 2 2s 2 2p 2 5s 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 8.481261 | .03356666 |
| 2 | 2s | 2.307686 | -.21303694 |
| 3 | 3s | 1.104455 | 1.22696519 |
| 4 | 4s | .821333 | -2.90824941 |
| 5 | 5s | .693798 | 2.47828318 |
| 6 | 5s | 8.137922 | -.00911190 |
| 7 | 4s | 19.112756 | .00155690 |
| 8 | 5s | 26.447108 | -.00047562 |
| 9 | 2s | 12.001007 | .00205684 |
| ORB.ENERGY,a.u. | -.235890 | ||
| NORM | 1.000000 | < R > | 9.571730 | < R2 > | 102.548713 | < 1/R > | .144732 | < 1/R**2 > | .179301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.760708 | .83742043 |
| 2 | 2p | 4.769212 | .19674752 |
| 3 | 2p | 10.417704 | .00795584 |
| 4 | 3p | 1.537243 | .01966923 |
| 5 | 4p | 3.274036 | -.02195634 |
| 6 | 5p | 21.165248 | -.00023326 |
| 7 | 5p | 1.899267 | -.01052596 |
| ORB.ENERGY,a.u. | -3.035900 | ||
| NORM | 1.000000 | < R > | .817918 | < R2 > | .823202 | < 1/R > | 1.576918 | < 1/R**2 > | 3.450167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.401709 | .33612542 |
| 2 | 2s | 3.425753 | -.86231841 |
| 3 | 3s | 3.011769 | -.26431976 |
| 4 | 5s | 16.220908 | .00204831 |
| 5 | 4s | 10.031760 | .01763630 |
| 6 | 3s | 12.787314 | .00850878 |
| 7 | 5s | 1.073309 | -.01535672 |
| 8 | 2s | .412450 | .01608976 |
| 9 | 3s | 24.237982 | -.00030761 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .879877 | < R2 > | .917363 | < 1/R > | 1.638488 | < 1/R**2 > | 10.929062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.745473 | .00628721 |
| 2 | 1s | 8.280965 | .68701682 |
| 3 | 1s | 12.206901 | .22214095 |
| 4 | 2s | 9.097219 | .12732680 |
| 5 | 3s | 10.297801 | -.02748660 |
| 6 | 4s | 16.993940 | .00404614 |
| 7 | 5s | .475319 | -.00148098 |
| 8 | 5s | 3.689630 | -.00019997 |
| 9 | 5s | 68.015559 | -.00000940 |
| 10 | 3s | .305244 | .00123479 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175231 | < R2 > | .041315 | < 1/R > | 8.645290 | < 1/R**2 > | 151.225084 |
Total Energy= -95.55786862 a.u.
Kinetic Energy= 95.55540855 a.u.
Potential Energy= -191.11327717 a.u.
Virial Ratio = -2.00002574