(1s 1 5s 1 ) 1 S P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 1.838346 | 1.14793365 |
| 2 | 2s | 3.782214 | -3.07578914 |
| 3 | 3s | 3.140898 | 8.07246439 |
| 4 | 4s | 2.647458 | -19.29906409 |
| 5 | 5s | 2.771554 | 13.80037148 |
| 6 | 2s | 8.901455 | .07456203 |
| 7 | 5s | 16.302060 | -.00430887 |
| 8 | 2s | 15.962112 | .00269359 |
| 9 | 3s | 12.335537 | -.00003144 |
| 10 | 4s | 32.133390 | .00026578 |
| ORB.ENERGY,a.u. | -4.300600 | ||
| NORM | 1.000007 | < R > | 2.651962 | < R2 > | 7.880998 | < 1/R > | .531102 | < 1/R**2 > | 1.455296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.005558 | 1.00168089 |
| 2 | 2s | 1.292725 | .28502038 |
| 3 | 3s | 6.701288 | -.05475861 |
| 4 | 4s | 8.403420 | .01944548 |
| 5 | 5s | 3.587213 | -.18474458 |
| 6 | 4s | 1.582555 | -.10633629 |
| 7 | 5s | 28.626691 | -.00005815 |
| ORB.ENERGY,a.u. | -112.300000 |
| NORM | 1.000000 | < R > | .102129 | < R2 > | .021149 | < 1/R > | 15.031512 | < 1/R**2 > | 451.706826 |
Total Energy= -116.46620220 a.u.
Kinetic Energy= 116.45621708 a.u.
Potential Energy= -232.92241929 a.u.
Virial Ratio = -2.00008574