(1s 1 3d 1 ) 1 D Ne 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
1 | 3d | 3.026328 | .96932537 |
2 | 4d | 3.014293 | .03303470 |
3 | 4d | 7.287591 | -.00028555 |
4 | 4d | 40.880541 | .00000769 |
5 | 5d | 15.807390 | -.00016196 |
ORB.ENERGY,a.u. | -4.566600 |
NORM | 1.000000 | < R > | 1.167121 | < R2 > | 1.556655 | < 1/R > | .999492 | < 1/R**2 > | 1.198555 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 9.843366 | .75704593 |
2 | 1s | 10.102123 | .25675915 |
3 | 2s | 9.905156 | -.01583312 |
4 | 3s | 7.803820 | -.00016484 |
ORB.ENERGY,a.u. | -49.011000 |
NORM | 1.000000 | < R > | .149990 | < R2 > | .029995 | < 1/R > | 10.000358 | < 1/R**2 > | 200.010684 |
Total Energy= -54.51549412 a.u.
Kinetic Energy= 54.49900699 a.u.
Potential Energy= -109.01450111 a.u.
Virial Ratio = -2.00030252