(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 2 S Cl 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 | 3p | .312698 | 2.03865265 |
| 2 | 4p | .301788 | -2.20894128 |
| 3 | 5p | .447172 | -.40016720 |
| 4 | 3p | 2.422077 | -.07782784 |
| 5 | 2p | 5.898271 | .02185647 |
| 6 | 2p | 11.951514 | .00300498 |
| 7 | 5p | 1.866186 | -.04465802 |
| 8 | 4p | 31.646764 | -.00005523 |
| 9 | 2p | 18.712606 | -.00014123 |
| ORB.ENERGY,a.u. | -.201050 | ||
| NORM | 1.000002 | < R > | 17.153589 | < R2 > | 332.184802 | < 1/R > | .075492 | < 1/R**2 > | .015450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.556439 | .81406116 |
| 2 | 2p | 1.819362 | -1.08015805 |
| 3 | 3p | 4.172594 | -.39415530 |
| 4 | 2p | 9.591478 | .08413357 |
| 5 | 3p | 15.145344 | -.00289924 |
| 6 | 4p | 1.677275 | -.14443421 |
| 7 | 5p | 2.120906 | -.01907853 |
| 8 | 5p | .279790 | -.00245276 |
| 9 | 4p | 34.365525 | -.00011765 |
| 10 | 3p | .170009 | .00129766 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.707832 | < R2 > | 3.424239 | < 1/R > | .783141 | < 1/R**2 > | 1.356983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185645 | .79333343 |
| 2 | 1s | 9.575088 | .16725574 |
| 3 | 2s | 5.069183 | -.64411352 |
| 4 | 3s | 2.567397 | .46052958 |
| 5 | 4s | 5.003330 | .04049305 |
| 6 | 2s | 9.828913 | -.15338425 |
| 7 | 2s | 16.834778 | -.00694217 |
| 8 | 5s | 1.661488 | -.04696419 |
| 9 | 4s | 29.041468 | .00053565 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.506729 | < R2 > | 2.618700 | < 1/R > | .901601 | < 1/R**2 > | 4.716861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398185 | .46606586 |
| 2 | 3p | 7.267675 | .51307719 |
| 3 | 4p | 5.781120 | .11690369 |
| 4 | 5p | 3.735019 | .00319684 |
| 5 | 2p | 19.418324 | .00433965 |
| 6 | 5p | 37.750451 | -.00021232 |
| 7 | 3p | 1.483992 | .00043823 |
| 8 | 4p | 103.916164 | .00000330 |
| 9 | 3p | 29.370380 | -.00015110 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405533 | < R2 > | .204087 | < 1/R > | 3.202465 | < 1/R**2 > | 14.284684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761981 | .37486432 |
| 2 | 2s | 6.932918 | -.76838562 |
| 3 | 3s | 6.439920 | -.16180129 |
| 4 | 4s | 28.145324 | .00175085 |
| 5 | 2s | 4.830177 | -.19791524 |
| 6 | 3s | 17.541457 | .00664666 |
| 7 | 4s | 2.930300 | -.00137122 |
| 8 | 5s | 1.331895 | -.00001776 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441504 | < R2 > | .230939 | < 1/R > | 3.315866 | < 1/R**2 > | 45.244288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577185 | 1.01112591 |
| 2 | 2s | 20.731033 | -.01850426 |
| 3 | 3s | 15.043875 | .01709841 |
| 4 | 4s | 62.499020 | -.00037537 |
| 5 | 4s | 8.164783 | .00126623 |
| 6 | 5s | 80.837983 | .00010689 |
| 7 | 5s | 8.243963 | -.00055028 |
| 8 | 2s | 28.331285 | -.00339260 |
| 9 | 2s | 165.783449 | .00000212 |
| 10 | 3s | 2.245983 | -.00002177 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559970 | < 1/R**2 > | 552.993611 |
Total Energy= -459.09176053 a.u.
Kinetic Energy= 459.09022599 a.u.
Potential Energy= -918.18198653 a.u.
Virial Ratio = -2.00000334