(1s 2 2s 2 2p 4 4p 1 ) 4 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 8.208699 | .21433472 |
| 2 | 3p | 1.743026 | 2.00252179 |
| 3 | 4p | 3.641808 | -1.43434788 |
| 4 | 5p | 6.370649 | -.14657109 |
| 5 | 3p | 17.379780 | -.00256606 |
| 6 | 5p | 2.000765 | -.64372598 |
| 7 | 4p | 2.220349 | .43679476 |
| ORB.ENERGY,a.u. | -2.934400 | ||
| NORM | .999999 | < R > | 2.207340 | < R2 > | 5.511848 | < 1/R > | .642926 | < 1/R**2 > | 1.200923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.038071 | 1.13113834 |
| 2 | 3p | 6.801306 | -.21053411 |
| 3 | 2p | 12.812735 | .07528630 |
| 4 | 4p | 15.161006 | .01212793 |
| 5 | 5p | 2.536492 | -.00111462 |
| 6 | 5p | 41.944799 | -.00012254 |
| ORB.ENERGY,a.u. | -16.101000 | ||
| NORM | 1.000000 | < R > | .374513 | < R2 > | .171520 | < 1/R > | 3.415506 | < 1/R**2 > | 15.998111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.485884 | .40540310 |
| 2 | 2s | 7.286923 | -.85590331 |
| 3 | 3s | 6.751347 | -.30067498 |
| 4 | 4s | 17.069646 | .00552964 |
| 5 | 3s | 19.033383 | .00979028 |
| 6 | 5s | 36.449651 | .00056423 |
| 7 | 5s | 5.956337 | -.00376314 |
| 8 | 4s | 3.565717 | .00080215 |
| 9 | 2s | 88.888115 | .00000717 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421024 | < R2 > | .208504 | < 1/R > | 3.479539 | < 1/R**2 > | 49.439037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.158603 | .92086075 |
| 2 | 1s | 23.396774 | .07544774 |
| 3 | 2s | 10.472917 | .02018714 |
| 4 | 3s | 12.706210 | -.02019347 |
| 5 | 4s | 15.361312 | .00906475 |
| 6 | 5s | 41.381510 | .00074657 |
| 7 | 4s | 97.077080 | -.00002780 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091038 | < R2 > | .011122 | < 1/R > | 16.589261 | < 1/R**2 > | 554.509301 |
Total Energy= -420.23796379 a.u.
Kinetic Energy= 420.26973473 a.u.
Potential Energy= -840.50769852 a.u.
Virial Ratio = -1.99992440