(1s 2 2s 1 4p 1 ) 1 P F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 2.413705 | .90332632 |
| 2 | 3p | 2.039921 | -1.81730783 |
| 3 | 4p | 1.501814 | 2.25736927 |
| 4 | 5p | 2.146859 | -.72554483 |
| 5 | 4p | 5.870571 | -.03657618 |
| 6 | 2p | 11.291992 | .00337952 |
| 7 | 5p | .670185 | -.00030864 |
| ORB.ENERGY,a.u. | -1.176900 | ||
| NORM | 1.000000 | < R > | 3.659959 | < R2 > | 15.198092 | < 1/R > | .395511 | < 1/R**2 > | .444553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.336362 | .39121222 |
| 2 | 2s | 3.679343 | -.87692231 |
| 3 | 3s | 4.207402 | -.25146064 |
| 4 | 4s | 9.962931 | .02775006 |
| 5 | 3s | 12.652800 | .01141633 |
| 6 | 5s | 6.858931 | -.01045526 |
| 7 | 5s | 17.541798 | .00169854 |
| 8 | 4s | 3.167279 | -.00319067 |
| 9 | 3s | 1.393124 | -.00095654 |
| 10 | 2s | 36.380599 | .00004813 |
| ORB.ENERGY,a.u. | -6.426300 | ||
| NORM | 1.000000 | < R > | .779433 | < R2 > | .708542 | < 1/R > | 1.867511 | < 1/R**2 > | 14.085649 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.179033 | .86281353 |
| 2 | 1s | 12.097996 | .13757010 |
| 3 | 2s | 5.770632 | .02861451 |
| 4 | 3s | 7.304558 | -.03259600 |
| 5 | 4s | 16.449488 | .00395917 |
| 6 | 5s | 9.733425 | .00439679 |
| 7 | 5s | 59.732222 | -.00002328 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174325 | < R2 > | .040787 | < 1/R > | 8.674699 | < 1/R**2 > | 152.034999 |
Total Energy= -83.46446371 a.u.
Kinetic Energy= 83.45611952 a.u.
Potential Energy= -166.92058322 a.u.
Virial Ratio = -2.00009998