(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 S P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 4p | 13.396840 | .00053179 |
| 2 | 5p | 1.772834 | -.12156646 |
| 3 | 4p | .723838 | 1.13095286 |
| 4 | 5p | .524789 | -1.48290292 |
| 5 | 3p | 2.127259 | -.08464292 |
| 6 | 2p | 10.032493 | .00389052 |
| 7 | 2p | 4.677703 | .02493308 |
| ORB.ENERGY,a.u. | -.125230 | ||
| NORM | 1.000001 | < R > | 11.564100 | < R2 > | 148.962175 | < 1/R > | .105534 | < 1/R**2 > | .020604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.269896 | .27792841 |
| 2 | 2p | 1.155961 | -.54446975 |
| 3 | 3p | 1.932195 | -.59288918 |
| 4 | 2p | 8.360768 | .08479741 |
| 5 | 3p | 13.619354 | -.00331992 |
| 6 | 4p | 1.071984 | .10690899 |
| 7 | 5p | .504114 | -.12514910 |
| 8 | 3p | .384151 | .06369257 |
| 9 | 4p | 30.041039 | -.00009656 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.977732 | < R2 > | 4.907669 | < 1/R > | .676139 | < 1/R**2 > | 1.009637 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.602982 | -.16950181 |
| 2 | 1s | 10.715466 | .17837339 |
| 3 | 1s | 43.457984 | .00020538 |
| 4 | 2s | 4.707277 | -.27889020 |
| 5 | 3s | 1.984922 | .88573524 |
| 6 | 4s | 3.401699 | .18106478 |
| 7 | 3s | 29.641054 | -.00063157 |
| 8 | 5s | 1.780093 | .02375553 |
| 9 | 4s | .464521 | -.00013354 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.770381 | < R2 > | 3.586637 | < 1/R > | .757178 | < 1/R**2 > | 3.261583 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924879 | .47477208 |
| 2 | 3p | 6.070936 | .49864464 |
| 3 | 4p | 4.808376 | .12608046 |
| 4 | 5p | 3.125355 | .00314025 |
| 5 | 2p | 15.364311 | .00812437 |
| 6 | 4p | 26.420722 | -.00068426 |
| 7 | 3p | 32.748111 | -.00008224 |
| 8 | 3p | .853272 | .00004430 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482972 | < R2 > | .291218 | < 1/R > | 2.708189 | < 1/R**2 > | 10.296760 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195099 | .36021283 |
| 2 | 2s | 5.445788 | -.77637877 |
| 3 | 3s | 4.879610 | -.17107797 |
| 4 | 5s | 24.132450 | .00152748 |
| 5 | 2s | 6.753829 | -.17542645 |
| 6 | 3s | 15.542761 | .00746556 |
| 7 | 4s | 3.768762 | -.00390515 |
| 8 | 4s | 28.498608 | .00133529 |
| 9 | 5s | 1.920871 | -.00004426 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514759 | < R2 > | .314660 | < 1/R > | 2.836324 | < 1/R**2 > | 33.155502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560811 | 1.01529281 |
| 2 | 2s | 19.686283 | -.02550358 |
| 3 | 3s | 11.156120 | .01966967 |
| 4 | 4s | 50.749743 | -.00002051 |
| 5 | 4s | 29.798841 | .00126852 |
| 6 | 2s | 59.778442 | .00003408 |
| 7 | 5s | 13.212820 | -.00537373 |
| 8 | 3s | 6.723013 | .00075505 |
| 9 | 4s | 1.822884 | -.00000347 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574377 | < 1/R**2 > | 428.643491 |
Total Energy= -339.77652340 a.u.
Kinetic Energy= 339.77021739 a.u.
Potential Energy= -679.54674079 a.u.
Virial Ratio = -2.00001856