(1s 2 2p 1 ) 2 P P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 6.551760 | .97044238 |
| 2 | 2p | 12.268612 | .01808716 |
| 3 | 2p | 18.379950 | .00475936 |
| 4 | 3p | 9.766348 | .01371702 |
| 5 | 4p | 6.857003 | -.00092351 |
| 6 | 5p | 32.642949 | -.00025397 |
| ORB.ENERGY,a.u. | -21.491000 | ||
| NORM | 1.000000 | < R > | .376837 | < R2 > | .170911 | < 1/R > | 3.332460 | < 1/R**2 > | 14.918378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.430120 | .93838529 |
| 2 | 1s | 22.929485 | .04810150 |
| 3 | 2s | 18.159239 | .01519662 |
| 4 | 3s | 13.978095 | .00500978 |
| 5 | 4s | 55.446631 | -.00056169 |
| 6 | 5s | 72.213223 | .00021896 |
| 7 | 5s | 10.190124 | .00009648 |
| ORB.ENERGY,a.u. | -100.140000 |
| NORM | 1.000000 | < R > | .102843 | < R2 > | .014163 | < 1/R > | 14.661731 | < 1/R**2 > | 432.693823 |
Total Energy= -237.19928215 a.u.
Kinetic Energy= 237.19928029 a.u.
Potential Energy= -474.39856244 a.u.
Virial Ratio = -2.00000001