(1s 2 2s 2 2p 4 ) 3 P P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 5.520310 | 1.40775617 |
| 2 | 3p | 7.173966 | -.49851985 |
| 3 | 4p | 8.920228 | .08487720 |
| 4 | 5p | 4.241057 | .01195526 |
| 5 | 4p | 23.680067 | -.00209096 |
| 6 | 3p | 29.075101 | -.00044007 |
| 7 | 5p | 3.648329 | -.00754246 |
| 8 | 3p | 2.262400 | .00187471 |
| ORB.ENERGY,a.u. | -11.302000 | ||
| NORM | 1.000000 | < R > | .440659 | < R2 > | .238244 | < 1/R > | 2.914481 | < 1/R**2 > | 11.705222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.964768 | .39014407 |
| 2 | 2s | 6.118865 | -.91692816 |
| 3 | 3s | 5.511953 | -.22375902 |
| 4 | 4s | 25.134981 | .00195791 |
| 5 | 3s | 14.084469 | .01590086 |
| 6 | 5s | 8.043033 | -.00820739 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .489265 | < R2 > | .282066 | < 1/R > | 2.985453 | < 1/R**2 > | 36.451984 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.155831 | .93172693 |
| 2 | 1s | 21.923278 | .06687647 |
| 3 | 2s | 12.198653 | .01869407 |
| 4 | 3s | 17.928599 | -.01506936 |
| 5 | 4s | 27.707175 | .00287274 |
| 6 | 5s | 53.134080 | .00007723 |
| 7 | 5s | 10.314189 | .00073025 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103536 | < R2 > | .014395 | < 1/R > | 14.597063 | < 1/R**2 > | 429.672447 |
Total Energy= -316.68783149 a.u.
Kinetic Energy= 316.68782697 a.u.
Potential Energy= -633.37565846 a.u.
Virial Ratio = -2.00000001