(1s 2 2s 2 2p 1 5s 1 ) 1 P C 0
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 | 5.442531 | .01681496 |
| 2 | 2s | 1.413090 | -.08772311 |
| 3 | 3s | .584837 | .48366343 |
| 4 | 4s | .291774 | -1.30230731 |
| 5 | 5s | .260259 | 2.04105236 |
| 6 | 5s | .425750 | -.51157664 |
| 7 | 4s | 4.365066 | -.00950608 |
| ORB.ENERGY,a.u. | -.030851 | ||
| NORM | 1.000004 | < R > | 24.391819 | < R2 > | 667.083353 | < 1/R > | .055518 | < 1/R**2 > | .020665 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.528781 | .24448811 |
| 2 | 2p | 6.557333 | .01042424 |
| 3 | 3p | 2.724268 | -.05529523 |
| 4 | 4p | 1.508300 | .04186587 |
| 5 | 4p | 10.385662 | -.00060005 |
| 6 | 2p | 1.583846 | .80287182 |
| ORB.ENERGY,a.u. | -.810070 | ||
| NORM | 1.000000 | < R > | 1.472500 | < R2 > | 2.688343 | < 1/R > | .884974 | < 1/R**2 > | 1.102710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.568526 | .24114413 |
| 2 | 2s | 1.577205 | -.75519311 |
| 3 | 3s | 2.825224 | -.26878802 |
| 4 | 4s | 11.849922 | .00202351 |
| 5 | 5s | 5.896190 | -.03024021 |
| 6 | 4s | 1.498710 | .01863509 |
| 7 | 5s | .383697 | -.02538169 |
| 8 | 3s | .251248 | .04101438 |
| 9 | 2s | .240869 | -.01728233 |
| 10 | 5s | 41.075449 | .00001401 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475245 | < R2 > | 2.596971 | < 1/R > | .961442 | < 1/R**2 > | 3.718074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.214224 | .71572611 |
| 2 | 1s | 8.199970 | .22629630 |
| 3 | 2s | 6.451496 | .08084085 |
| 4 | 3s | 6.868991 | -.01398853 |
| 5 | 4s | 10.976894 | .00596510 |
| 6 | 1s | 2.324139 | .00321407 |
| 7 | 5s | .150026 | -.00013818 |
| 8 | 5s | 46.322508 | -.00001283 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268107 | < R2 > | .096910 | < 1/R > | 5.668448 | < 1/R**2 > | 65.301817 |
Total Energy= -37.32350184 a.u.
Kinetic Energy= 37.32305673 a.u.
Potential Energy= -74.64655857 a.u.
Virial Ratio = -2.00001193