(1s 1 5s 1 ) 3 S F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 6.610531 | .12469949 |
2 | 2s | 2.341743 | -2.05717303 |
3 | 3s | 1.970260 | 5.71760160 |
4 | 4s | 1.475121 | -15.72792610 |
5 | 5s | 1.568129 | 12.76306204 |
6 | 2s | 4.310442 | .21893786 |
7 | 5s | 8.143086 | -.00609603 |
8 | 3s | 51.342174 | .00000755 |
9 | 4s | .568436 | .00085258 |
ORB.ENERGY,a.u. | -1.352300 |
NORM | 1.000014 | < R > | 4.589304 | < R2 > | 23.586432 | < 1/R > | .323411 | < 1/R**2 > | 1.024141 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 8.855893 | .75723983 |
2 | 1s | 9.102258 | .25652684 |
3 | 2s | 8.903371 | -.01575766 |
4 | 3s | 11.996829 | -.00013503 |
ORB.ENERGY,a.u. | -40.232000 |
NORM | 1.000000 | < R > | .166665 | < R2 > | .037037 | < 1/R > | 9.000237 | < 1/R**2 > | 162.009042 |
Total Energy= -41.80345476 a.u.
Kinetic Energy= 41.80774651 a.u.
Potential Energy= -83.61120127 a.u.
Virial Ratio = -1.99989735