(1s 2 2s 2 2p 6 3s 2 3p 2 ) 1 S Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p- electron | |
| 1 | 3p | 7.851023 | -.14960535 |
| 2 | 4p | 1.734550 | .24317297 |
| 3 | 2p | 5.709999 | .56361227 |
| 4 | 2p | 1.436588 | -1.04831676 |
| 5 | 3p | 2.643763 | -.26209628 |
| 6 | 2p | 19.554343 | .00146205 |
| 7 | 4p | 1.439610 | .02306783 |
| 8 | 5p | 46.191308 | -.00005019 |
| ORB.ENERGY,a.u. | -1.746600 | ||
| NORM | 1.000000 | < R > | 1.552223 | < R2 > | 2.795354 | < 1/R > | .865219 | < 1/R**2 > | 1.662132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.235553 | -.46191104 |
| 2 | 1s | 12.752143 | .17560873 |
| 3 | 2s | 6.144119 | -.20965997 |
| 4 | 3s | 2.693259 | 1.09091681 |
| 5 | 4s | 4.660456 | .18272840 |
| 6 | 3s | 18.525372 | .00370401 |
| 7 | 5s | 2.514821 | .06936625 |
| 8 | 4s | 56.482179 | -.00005596 |
| 9 | 2s | 2.086369 | .01933360 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.410203 | < R2 > | 2.270200 | < 1/R > | .965082 | < 1/R**2 > | 5.443556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.799290 | .42945139 |
| 2 | 3p | 7.643896 | .51273938 |
| 3 | 5p | 4.393483 | .00659555 |
| 4 | 4p | 6.155996 | .15910814 |
| 5 | 2p | 24.688899 | .00148214 |
| 6 | 5p | 31.533864 | -.00015799 |
| 7 | 3p | 46.337919 | .00003963 |
| 8 | 3p | 1.856796 | .00104378 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .405013 | < R2 > | .203520 | < 1/R > | 3.205863 | < 1/R**2 > | 14.311613 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.737693 | .37664751 |
| 2 | 2s | 6.941032 | -.76918971 |
| 3 | 3s | 6.371718 | -.16255916 |
| 4 | 4s | 28.124016 | .00189293 |
| 5 | 2s | 4.943588 | -.19772009 |
| 6 | 3s | 17.143326 | .00702466 |
| 7 | 4s | 3.419402 | -.00079617 |
| 8 | 5s | 63.609528 | .00001473 |
| 9 | 5s | 2.512290 | -.00007454 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440489 | < R2 > | .229729 | < 1/R > | 3.322989 | < 1/R**2 > | 45.420966 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578498 | 1.01107988 |
| 2 | 2s | 20.669208 | -.01844464 |
| 3 | 3s | 15.068883 | .01706224 |
| 4 | 4s | 61.774522 | -.00039154 |
| 5 | 4s | 8.114595 | .00130459 |
| 6 | 5s | 79.576503 | .00011204 |
| 7 | 5s | 8.251970 | -.00057633 |
| 8 | 2s | 28.497856 | -.00340449 |
| 9 | 2s | 163.386960 | .00000232 |
| 10 | 3s | 1.646890 | -.00000665 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091281 | < R2 > | .011196 | < 1/R > | 16.561361 | < 1/R**2 > | 553.065282 |
Total Energy= -456.78636420 a.u.
Kinetic Energy= 456.60818941 a.u.
Potential Energy= -913.39455362 a.u.
Virial Ratio = -2.00039021