(1s 2 2s 2 2p 2 3p 1 ) 2 P F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 3p | 1.183761 | -1.13959545 |
| 2 | 2p | 1.946141 | .28942057 |
| 3 | 2p | 5.635533 | .04013277 |
| 4 | 4p | 6.523328 | .01651848 |
| 5 | 5p | 7.685578 | -.00381189 |
| 6 | 5p | .780509 | -.00054632 |
| ORB.ENERGY,a.u. | -.658640 | ||
| NORM | 1.000000 | < R > | 3.202722 | < R2 > | 11.475904 | < 1/R > | .371043 | < 1/R**2 > | .225325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.802433 | .83475646 |
| 2 | 2p | 4.867920 | .18847372 |
| 3 | 2p | 10.862626 | .00677936 |
| 4 | 3p | 4.313704 | .01051077 |
| 5 | 4p | 1.394261 | -.05235020 |
| 6 | 3p | 45.708985 | .00001421 |
| 7 | 5p | .992242 | -.00149064 |
| 8 | 5p | 39.860899 | .00004869 |
| ORB.ENERGY,a.u. | -2.708200 | ||
| NORM | 1.000000 | < R > | .801297 | < R2 > | .791304 | < 1/R > | 1.599193 | < 1/R**2 > | 3.526797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.443167 | .33194278 |
| 2 | 2s | 3.403437 | -.85285440 |
| 3 | 3s | 3.050282 | -.26097846 |
| 4 | 4s | 10.733288 | .01621107 |
| 5 | 3s | 12.165009 | .00762016 |
| 6 | 5s | 2.823946 | -.00701829 |
| 7 | 5s | 21.594537 | .00068098 |
| 8 | 3s | .961937 | -.00020578 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .883457 | < R2 > | .923211 | < 1/R > | 1.631735 | < 1/R**2 > | 10.845195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.276146 | .68786387 |
| 2 | 1s | 12.189549 | .22287998 |
| 3 | 1s | 2.778333 | .00557529 |
| 4 | 2s | 9.049294 | .12791975 |
| 5 | 3s | 10.166180 | -.02776663 |
| 6 | 4s | 17.018826 | .00350183 |
| 7 | 5s | 4.776961 | -.00111847 |
| 8 | 5s | 54.815498 | -.00002601 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175264 | < R2 > | .041318 | < 1/R > | 8.644233 | < 1/R**2 > | 151.196738 |
Total Energy= -95.99940876 a.u.
Kinetic Energy= 95.97819056 a.u.
Potential Energy= -191.97759931 a.u.
Virial Ratio = -2.00022107