(1s 1 3s 1 ) 1 S F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
1 | 1s | 4.101853 | .28053988 |
2 | 2s | 3.309330 | -.99521178 |
3 | 3s | 2.625818 | 1.86220642 |
4 | 4s | 6.048896 | -.31662853 |
5 | 5s | 4.791041 | -.25132359 |
6 | 3s | 7.620263 | -.06869889 |
7 | 5s | 11.620535 | -.00865173 |
8 | 4s | 2.162692 | -.01168422 |
9 | 3s | 93.294363 | .00000199 |
ORB.ENERGY,a.u. | -3.707800 |
NORM | 1.000000 | < R > | 1.634891 | < R2 > | 3.034994 | < 1/R > | .807168 | < 1/R**2 > | 1.861478 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 1.018986 | .26716586 |
2 | 1s | 9.017069 | .99784077 |
3 | 2s | 3.065592 | -.18201903 |
4 | 3s | 1.688722 | -.12155636 |
5 | 3s | 6.445777 | -.01583963 |
6 | 4s | 3.127720 | .06747634 |
7 | 5s | 1.478484 | -.02025360 |
8 | 5s | 27.793227 | .00005563 |
ORB.ENERGY,a.u. | -39.708000 |
NORM | 1.000000 | < R > | .171191 | < R2 > | .052686 | < 1/R > | 9.095159 | < 1/R**2 > | 165.013810 |
Total Energy= -44.18101368 a.u.
Kinetic Energy= 44.16071202 a.u.
Potential Energy= -88.34172570 a.u.
Virial Ratio = -2.00045972