(1s 1 4p 1 ) 1 P F 7+
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 | 1.993786 | 2.31394356 |
2 | 3p | 2.009229 | -6.14563457 |
3 | 4p | 1.999695 | 4.60663379 |
4 | 5p | 2.414901 | -.08383311 |
5 | 3p | 11.047014 | -.00453855 |
6 | 4p | 7.625334 | -.00659467 |
ORB.ENERGY,a.u. | -2.037600 |
NORM | .999998 | < R > | 2.884571 | < R2 > | 9.438705 | < 1/R > | .498779 | < 1/R**2 > | .664117 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 8.856541 | .75720245 |
2 | 1s | 9.102480 | .25648913 |
3 | 2s | 8.954367 | -.01543965 |
4 | 3s | 9.854976 | -.00041950 |
5 | 4s | 5.233987 | .00013328 |
ORB.ENERGY,a.u. | -40.006000 |
NORM | 1.000000 | < R > | .166667 | < R2 > | .037040 | < 1/R > | 9.000325 | < 1/R**2 > | 162.012782 |
Total Energy= -42.51225945 a.u.
Kinetic Energy= 42.49317041 a.u.
Potential Energy= -85.00542987 a.u.
Virial Ratio = -2.00044923