(1s 2 2s 2 2p 2 3p 1 ) 2 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3p | 1.241959 | -.98637109 |
| 2 | 2p | 2.785900 | .32127439 |
| 3 | 2p | 6.124609 | .04187838 |
| 4 | 4p | 6.928499 | .01487390 |
| 5 | 5p | 2.001294 | -.07884908 |
| 6 | 3p | 11.396433 | -.00029652 |
| ORB.ENERGY,a.u. | -.720020 | ||
| NORM | 1.000000 | < R > | 2.903209 | < R2 > | 9.629305 | < 1/R > | .455912 | < 1/R**2 > | .446651 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.782238 | .81357317 |
| 2 | 2p | 4.661065 | .20059094 |
| 3 | 2p | 9.517223 | .01126639 |
| 4 | 3p | 1.993833 | .01943911 |
| 5 | 4p | 3.636425 | -.00880315 |
| 6 | 5p | 19.140304 | -.00071554 |
| 7 | 5p | 1.229602 | .00085086 |
| 8 | 4p | 27.195348 | -.00013315 |
| ORB.ENERGY,a.u. | -2.769500 | ||
| NORM | 1.000000 | < R > | .822027 | < R2 > | .833413 | < 1/R > | 1.571696 | < 1/R**2 > | 3.431567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.437040 | .33213663 |
| 2 | 2s | 3.407536 | -.85330006 |
| 3 | 3s | 3.040518 | -.26157406 |
| 4 | 4s | 10.640213 | .01671002 |
| 5 | 3s | 12.182571 | .00774526 |
| 6 | 5s | 2.765923 | -.00779628 |
| 7 | 5s | 21.245884 | .00075257 |
| 8 | 3s | .946391 | -.00021423 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .884302 | < R2 > | .925400 | < 1/R > | 1.630562 | < 1/R**2 > | 10.831832 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.276060 | .68786516 |
| 2 | 1s | 12.189725 | .22287580 |
| 3 | 1s | 2.785672 | .00555992 |
| 4 | 2s | 9.049215 | .12792735 |
| 5 | 3s | 10.168074 | -.02776586 |
| 6 | 4s | 17.017683 | .00350449 |
| 7 | 5s | 4.778815 | -.00111413 |
| 8 | 5s | 54.889769 | -.00002585 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175265 | < R2 > | .041319 | < 1/R > | 8.644176 | < 1/R**2 > | 151.195082 |
Total Energy= -95.99841443 a.u.
Kinetic Energy= 96.03954851 a.u.
Potential Energy= -192.03796294 a.u.
Virial Ratio = -1.99957170