(1s 2 2s 2 2p 6 3s 2 3p 4 4p 1 ) 4 S Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | .370033 | .94906048 |
| 2 | 5p | 1.111270 | .11836324 |
| 3 | 4p | 3.683710 | -.08849053 |
| 4 | 2p | 7.413934 | .03317656 |
| 5 | 5p | 2.634412 | -.07573654 |
| 6 | 3p | 11.084657 | -.00370293 |
| 7 | 3p | .856666 | -.38814852 |
| 8 | 4p | .509036 | .25740989 |
| 9 | 5p | 24.321289 | .00012955 |
| ORB.ENERGY,a.u. | -.242960 | ||
| NORM | 1.000000 | < R > | 8.174417 | < R2 > | 75.626500 | < 1/R > | .145285 | < 1/R**2 > | .041959 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.562570 | .81188351 |
| 2 | 2p | 1.806740 | -1.08163290 |
| 3 | 3p | 4.177371 | -.39680457 |
| 4 | 2p | 9.626937 | .08305189 |
| 5 | 3p | 15.517823 | -.00267846 |
| 6 | 4p | 1.694425 | -.13485989 |
| 7 | 5p | 1.949949 | -.01945491 |
| 8 | 5p | .616483 | .00382868 |
| 9 | 4p | 34.446010 | -.00010073 |
| 10 | 3p | .497747 | -.00284561 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.707099 | < R2 > | 3.420069 | < 1/R > | .783379 | < 1/R**2 > | 1.357765 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185166 | .79335355 |
| 2 | 1s | 9.574415 | .16721480 |
| 3 | 2s | 5.068855 | -.64394604 |
| 4 | 3s | 2.566372 | .46038713 |
| 5 | 4s | 5.010339 | .04053185 |
| 6 | 2s | 9.829797 | -.15330899 |
| 7 | 2s | 16.831061 | -.00694235 |
| 8 | 5s | 1.663068 | -.04687850 |
| 9 | 4s | 29.047035 | .00053613 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507244 | < R2 > | 2.620662 | < 1/R > | .901288 | < 1/R**2 > | 4.713407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398296 | .46604574 |
| 2 | 3p | 7.267846 | .51304068 |
| 3 | 4p | 5.782027 | .11694112 |
| 4 | 5p | 3.745214 | .00326862 |
| 5 | 2p | 19.403744 | .00434773 |
| 6 | 5p | 37.620819 | -.00020747 |
| 7 | 3p | 1.369541 | .00045761 |
| 8 | 4p | 101.549009 | .00000350 |
| 9 | 3p | 28.846496 | -.00016454 |
| 10 | 4p | .781989 | -.00007854 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405546 | < R2 > | .204102 | < 1/R > | 3.202401 | < 1/R**2 > | 14.284208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.761942 | .37485923 |
| 2 | 2s | 6.932891 | -.76838037 |
| 3 | 3s | 6.439600 | -.16180314 |
| 4 | 4s | 28.146168 | .00175187 |
| 5 | 2s | 4.830200 | -.19791487 |
| 6 | 3s | 17.538144 | .00664727 |
| 7 | 4s | 2.941713 | -.00138366 |
| 8 | 5s | 1.424061 | -.00001653 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441513 | < R2 > | .230950 | < 1/R > | 3.315806 | < 1/R**2 > | 45.242805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577176 | 1.01112616 |
| 2 | 2s | 20.731417 | -.01850450 |
| 3 | 3s | 15.043622 | .01709866 |
| 4 | 4s | 62.495487 | -.00037531 |
| 5 | 4s | 8.165471 | .00126601 |
| 6 | 5s | 80.836626 | .00010689 |
| 7 | 5s | 8.244404 | -.00055024 |
| 8 | 2s | 28.331118 | -.00339257 |
| 9 | 2s | 165.497867 | .00000213 |
| 10 | 3s | 2.242678 | -.00002182 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559959 | < 1/R**2 > | 552.993044 |
Total Energy= -459.13706534 a.u.
Kinetic Energy= 459.13215693 a.u.
Potential Energy= -918.26922226 a.u.
Virial Ratio = -2.00001069