(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 6.939821 | .04206555 |
| 2 | 5p | 1.506562 | .45865886 |
| 3 | 4p | 3.927291 | -.17615889 |
| 4 | 2p | 12.013654 | .00440268 |
| 5 | 5p | 2.877575 | -.31499556 |
| 6 | 3p | 1.184544 | .78809786 |
| 7 | 5p | 46.233471 | -.00003112 |
| ORB.ENERGY,a.u. | -.800360 | ||
| NORM | 1.000000 | < R > | 3.664732 | < R2 > | 14.554435 | < 1/R > | .302726 | < 1/R**2 > | .131086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.307861 | .35315598 |
| 2 | 2p | 1.693154 | -.16978989 |
| 3 | 3p | 2.536420 | -1.03182820 |
| 4 | 2p | 10.004859 | .08964294 |
| 5 | 3p | 18.180225 | -.00208712 |
| 6 | 4p | 1.345437 | .27719538 |
| 7 | 5p | 97.721433 | .00000456 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.395821 | < R2 > | 2.388793 | < 1/R > | .983303 | < 1/R**2 > | 2.122299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.897703 | -.11175323 |
| 2 | 1s | 12.185527 | .21388187 |
| 3 | 1s | 63.557600 | .00008504 |
| 4 | 2s | 5.544615 | -.46064084 |
| 5 | 3s | 2.681348 | 1.00658990 |
| 6 | 4s | 4.260667 | .10385027 |
| 7 | 3s | 36.693128 | -.00058816 |
| 8 | 5s | 2.304232 | .01826320 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.373958 | < R2 > | 2.149009 | < 1/R > | .992642 | < 1/R**2 > | 5.778192 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788985 | .43083503 |
| 2 | 3p | 7.644289 | .51162710 |
| 3 | 5p | 4.420394 | .00574926 |
| 4 | 4p | 6.164964 | .15897255 |
| 5 | 2p | 24.286368 | .00158052 |
| 6 | 5p | 32.693454 | -.00015643 |
| 7 | 3p | 48.340747 | .00003035 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404317 | < R2 > | .202644 | < 1/R > | 3.209533 | < 1/R**2 > | 14.338708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.735658 | .37713700 |
| 2 | 2s | 6.940925 | -.76940540 |
| 3 | 3s | 6.358026 | -.16290003 |
| 4 | 4s | 27.778688 | .00181294 |
| 5 | 2s | 4.982940 | -.19721878 |
| 6 | 3s | 17.389572 | .00698594 |
| 7 | 4s | 3.871188 | -.00033493 |
| 8 | 5s | 51.759880 | .00002960 |
| 9 | 5s | 1.350228 | .00002895 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .439966 | < R2 > | .229103 | < 1/R > | 3.326648 | < 1/R**2 > | 45.511657 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579112 | 1.01106221 |
| 2 | 2s | 20.634878 | -.01842087 |
| 3 | 3s | 15.105111 | .01701743 |
| 4 | 4s | 61.755411 | -.00038692 |
| 5 | 4s | 8.441661 | .00131536 |
| 6 | 5s | 79.841829 | .00010934 |
| 7 | 5s | 8.680174 | -.00052650 |
| 8 | 2s | 28.524130 | -.00343261 |
| 9 | 2s | 153.302357 | .00000265 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091275 | < R2 > | .011194 | < 1/R > | 16.562068 | < 1/R**2 > | 553.101795 |
Total Energy= -455.66862725 a.u.
Kinetic Energy= 455.66171259 a.u.
Potential Energy= -911.33033984 a.u.
Virial Ratio = -2.00001518