(1s 2 2s 2 2p 1 5p 1 ) 1 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 2p | 1.789938 | .06298722 |
| 2 | 3p | .198045 | -5.24454066 |
| 3 | 4p | .288171 | 5.13652929 |
| 4 | 5p | 1.268502 | -.04575197 |
| 5 | 2p | 4.410079 | .00479001 |
| 6 | 5p | 5.818659 | .00180549 |
| 7 | 5p | .828451 | -.13979536 |
| 8 | 5p | .150992 | .01880547 |
| ORB.ENERGY,a.u. | -.026800 | ||
| NORM | 1.000028 | < R > | 27.152515 | < R2 > | 829.326248 | < 1/R > | .050988 | < 1/R**2 > | .008960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.585385 | .79950518 |
| 2 | 2p | 2.533704 | .24303381 |
| 3 | 2p | 6.514299 | .01070232 |
| 4 | 3p | 2.729870 | -.05166288 |
| 5 | 4p | 1.512698 | .04343647 |
| 6 | 4p | 10.460027 | -.00062767 |
| ORB.ENERGY,a.u. | -.818760 | ||
| NORM | 1.000000 | < R > | 1.471840 | < R2 > | 2.686269 | < 1/R > | .885415 | < 1/R**2 > | 1.103771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.579951 | .24025788 |
| 2 | 2s | 1.552419 | -.76096307 |
| 3 | 3s | 2.861994 | -.27219943 |
| 4 | 4s | 11.703765 | .00197146 |
| 5 | 5s | 5.913037 | -.02893119 |
| 6 | 5s | 1.870029 | .02758649 |
| 7 | 2s | 38.953627 | -.00000309 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.476080 | < R2 > | 2.591566 | < 1/R > | .960830 | < 1/R**2 > | 3.713768 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212891 | .71609832 |
| 2 | 1s | 8.200669 | .22614236 |
| 3 | 1s | 2.387898 | .00355143 |
| 4 | 2s | 6.450840 | .08051036 |
| 5 | 3s | 6.779843 | -.01402417 |
| 6 | 4s | 10.925022 | .00565407 |
| 7 | 5s | 42.376053 | -.00002663 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268108 | < R2 > | .096884 | < 1/R > | 5.668430 | < 1/R**2 > | 65.301522 |
Total Energy= -37.31801798 a.u.
Kinetic Energy= 37.31902290 a.u.
Potential Energy= -74.63704088 a.u.
Virial Ratio = -1.99997307