(1s 2 2s 2 2p 1 5s 1 ) 1 P S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 12.207224 | .09392564 |
| 2 | 2s | 3.769914 | -.95525008 |
| 3 | 3s | 2.900342 | 3.85136088 |
| 4 | 4s | 2.392231 | -7.87467634 |
| 5 | 5s | 2.304987 | 5.58421478 |
| 6 | 5s | 18.475841 | -.00373002 |
| 7 | 4s | 8.940448 | -.02995053 |
| ORB.ENERGY,a.u. | -2.648700 | ||
| NORM | .999998 | < R > | 3.124799 | < R2 > | 10.927868 | < 1/R > | .465136 | < 1/R**2 > | 2.120763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.671148 | 1.08128092 |
| 2 | 3p | 8.304463 | -.09353578 |
| 3 | 2p | 15.480568 | .01379259 |
| 4 | 5p | 17.458471 | .00147625 |
| 5 | 4p | 31.153354 | -.00076343 |
| 6 | 5p | 5.431374 | .00378697 |
| 7 | 5p | 95.572537 | -.00001579 |
| 8 | 4p | 4.525772 | -.00260661 |
| ORB.ENERGY,a.u. | -20.289000 | ||
| NORM | 1.000000 | < R > | .367519 | < R2 > | .163385 | < 1/R > | 3.436597 | < 1/R**2 > | 15.966625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.088996 | .36648116 |
| 2 | 2s | 5.680687 | -.83540231 |
| 3 | 3s | 9.051468 | -.31273805 |
| 4 | 4s | 6.172550 | .09560981 |
| 5 | 5s | 18.058366 | -.01005968 |
| 6 | 5s | 1.997074 | .02218205 |
| 7 | 4s | 1.769688 | -.02179624 |
| 8 | 3s | 16.960572 | -.00013047 |
| 9 | 5s | 41.286236 | .00033642 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .423853 | < R2 > | .210203 | < 1/R > | 3.465445 | < 1/R**2 > | 48.550654 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.175873 | .93432227 |
| 2 | 1s | 23.419516 | .06423251 |
| 3 | 2s | 13.800529 | .02023872 |
| 4 | 3s | 17.064834 | -.01648940 |
| 5 | 4s | 78.129368 | -.00006657 |
| 6 | 5s | 36.392792 | .00072065 |
| 7 | 5s | 2.764322 | .00233316 |
| 8 | 4s | 2.133517 | -.00237372 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096367 | < R2 > | .012438 | < 1/R > | 15.646839 | < 1/R**2 > | 492.723983 |
Total Energy= -319.03644224 a.u.
Kinetic Energy= 319.02823684 a.u.
Potential Energy= -638.06467909 a.u.
Virial Ratio = -2.00002572