(1s 2 2s 2 2p 6 3s 1 3p 1 ) 3 P Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2p | 9.491649 | .17897437 |
| 2 | 3p | 6.550633 | .20841409 |
| 3 | 3p | 2.560871 | -.85009221 |
| 4 | 4p | 11.780890 | .02818628 |
| 5 | 4p | 3.509442 | -.21494172 |
| 6 | 5p | 14.400279 | -.00638390 |
| 7 | 3p | 47.940925 | .00001357 |
| ORB.ENERGY,a.u. | -3.092100 | ||
| NORM | 1.000000 | < R > | 1.386195 | < R2 > | 2.200502 | < 1/R > | .968265 | < 1/R**2 > | 2.051852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.345844 | .06064077 |
| 2 | 1s | 13.828576 | .13072305 |
| 3 | 2s | 5.991567 | -.48725025 |
| 4 | 3s | 2.717064 | .81415583 |
| 5 | 4s | 3.801550 | .35701647 |
| 6 | 5s | 18.265421 | -.00529996 |
| 7 | 4s | 36.484054 | .00013458 |
| 8 | 1s | 1.721881 | -.10353972 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.317569 | < R2 > | 1.967684 | < 1/R > | 1.040774 | < 1/R**2 > | 6.407362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.734727 | .43618531 |
| 2 | 3p | 7.653998 | .50229835 |
| 3 | 5p | 4.657071 | .00508725 |
| 4 | 4p | 6.243825 | .16100053 |
| 5 | 2p | 22.686261 | .00212927 |
| 6 | 5p | 36.904694 | -.00012645 |
| 7 | 3p | 55.640967 | .00001282 |
| 8 | 3p | 1.056202 | .00002710 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .402960 | < R2 > | .201035 | < 1/R > | 3.217300 | < 1/R**2 > | 14.397903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.688525 | .37914539 |
| 2 | 2s | 7.042429 | -.83525407 |
| 3 | 3s | 6.215042 | -.29577872 |
| 4 | 4s | 28.440180 | .00175098 |
| 5 | 3s | 16.691297 | .00856717 |
| 6 | 2s | 2.559522 | -.02181058 |
| 7 | 4s | 3.250852 | .00929490 |
| 8 | 5s | 61.402788 | .00000813 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439829 | < R2 > | .228923 | < 1/R > | 3.327313 | < 1/R**2 > | 45.524966 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579121 | 1.01108577 |
| 2 | 2s | 20.621962 | -.01844867 |
| 3 | 3s | 15.118302 | .01700558 |
| 4 | 4s | 60.040442 | -.00038608 |
| 5 | 4s | 8.491862 | .00133345 |
| 6 | 5s | 75.952634 | .00010619 |
| 7 | 5s | 8.822887 | -.00053437 |
| 8 | 2s | 28.578503 | -.00343562 |
| 9 | 2s | 146.617585 | .00000346 |
| 10 | 4s | 3.250746 | .00001387 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091273 | < R2 > | .011193 | < 1/R > | 16.562424 | < 1/R**2 > | 553.123137 |
Total Energy= -451.94551655 a.u.
Kinetic Energy= 452.02067758 a.u.
Potential Energy= -903.96619413 a.u.
Virial Ratio = -1.99983372