(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 S P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5.677585 | .02562016 |
| 2 | 2p | 10.200666 | .00329324 |
| 3 | 5p | 2.020560 | -.08206322 |
| 4 | 4p | 2.848987 | -.08288156 |
| 5 | 4p | .591410 | .53446388 |
| 6 | 5p | .333985 | -1.10279457 |
| 7 | 3p | 1.897066 | .00615404 |
| 8 | 3p | .568470 | .10460326 |
| 9 | 2p | .146329 | -.02807016 |
| 10 | 4p | 26.705474 | -.00005244 |
| ORB.ENERGY,a.u. | -.169900 | ||
| NORM | 1.000000 | < R > | 16.871069 | < R2 > | 319.866786 | < 1/R > | .077278 | < 1/R**2 > | .019040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103788 | .26436708 |
| 2 | 2p | 1.078473 | -.87882779 |
| 3 | 3p | 1.982536 | -.29118680 |
| 4 | 2p | 8.135199 | .08493258 |
| 5 | 4p | 1.215652 | .12159525 |
| 6 | 3p | 12.450678 | -.00434621 |
| 7 | 4p | 30.127699 | -.00013519 |
| 8 | 5p | .233380 | .00025254 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.133301 | < R2 > | 5.306264 | < 1/R > | .618205 | < 1/R**2 > | .842492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.355462 | -.17718150 |
| 2 | 1s | 10.700617 | .17034728 |
| 3 | 1s | 41.189746 | .00023395 |
| 4 | 2s | 4.747047 | -.24283771 |
| 5 | 3s | 1.913450 | .83952818 |
| 6 | 4s | 3.411961 | .19431735 |
| 7 | 3s | 29.242709 | -.00058474 |
| 8 | 5s | 1.724146 | .06459113 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848330 | < R2 > | 3.937150 | < 1/R > | .724858 | < 1/R**2 > | 2.968341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372642 | .42809452 |
| 2 | 3p | 6.500491 | .49501416 |
| 3 | 2p | 20.147665 | .00249406 |
| 4 | 4p | 5.240129 | .18070314 |
| 5 | 5p | 4.032373 | .01287099 |
| 6 | 3p | 38.527671 | .00006484 |
| 7 | 4p | 82.525446 | -.00000233 |
| 8 | 3p | 1.601639 | .00090090 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483361 | < R2 > | .291773 | < 1/R > | 2.706586 | < 1/R**2 > | 10.286348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194451 | .35988225 |
| 2 | 2s | 5.437884 | -.77667011 |
| 3 | 3s | 4.856543 | -.17147043 |
| 4 | 4s | 23.621264 | .00226541 |
| 5 | 2s | 6.760267 | -.17609707 |
| 6 | 3s | 15.374516 | .00817271 |
| 7 | 5s | 4.030073 | -.00309161 |
| 8 | 4s | 1.923100 | -.00024912 |
| 9 | 5s | 47.900254 | .00005524 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515322 | < R2 > | .315448 | < 1/R > | 2.833448 | < 1/R**2 > | 33.094137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.404048 | -.00021483 |
| 2 | 1s | 14.570410 | 1.01425842 |
| 3 | 2s | 21.105375 | -.02188133 |
| 4 | 3s | 11.321540 | .01689845 |
| 5 | 4s | 20.110197 | -.00094969 |
| 6 | 5s | 17.686141 | .00342830 |
| 7 | 5s | 62.486139 | -.00003186 |
| 8 | 4s | 12.074663 | -.00660203 |
| 9 | 2s | 54.222394 | .00013071 |
| 10 | 3s | 7.509760 | .00141296 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573863 | < 1/R**2 > | 428.620351 |
Total Energy= -340.38961917 a.u.
Kinetic Energy= 340.39270819 a.u.
Potential Energy= -680.78232737 a.u.
Virial Ratio = -1.99999093