(1s 1 3p 1 ) 1 P Mg 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 2p | 4.521324 | .96276263 |
2 | 3p | 3.563139 | -1.68174250 |
3 | 2p | 2.694730 | .08086206 |
4 | 4p | 5.888776 | .09298135 |
5 | 5p | 11.520997 | .00893281 |
6 | 4p | 27.764575 | -.00174863 |
7 | 5p | 36.470305 | .00053582 |
8 | 3p | 59.658599 | -.00002375 |
ORB.ENERGY,a.u. | -6.842100 |
NORM | 1.000000 | < R > | 1.140286 | < R2 > | 1.498178 | < 1/R > | 1.218863 | < 1/R**2 > | 2.973385 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 11.746384 | .88928873 |
2 | 1s | 14.404747 | .10559136 |
3 | 2s | 14.344967 | .01068642 |
4 | 3s | 12.398770 | -.00521951 |
5 | 4s | 34.730918 | .00002292 |
6 | 5s | 6.284967 | .00022211 |
ORB.ENERGY,a.u. | -70.842000 |
NORM | 1.000000 | < R > | .124995 | < R2 > | .020834 | < 1/R > | 12.001072 | < 1/R**2 > | 288.052027 |
Total Energy= -78.76452993 a.u.
Kinetic Energy= 78.69820136 a.u.
Potential Energy= -157.46273129 a.u.
Virial Ratio = -2.00084282