(1s 2 2s 2 2p 4 3p 1 ) 2 S Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 5.520089 | .43746949 |
| 2 | 3p | 3.329576 | -.92141374 |
| 3 | 4p | 3.802109 | -.23419780 |
| 4 | 2p | 10.475678 | .08841494 |
| 5 | 5p | 17.068885 | .00315290 |
| 6 | 5p | 43.400948 | -.00024384 |
| 7 | 4p | 65.969138 | -.00004098 |
| 8 | 5p | 3.174195 | -.00848936 |
| ORB.ENERGY,a.u. | -5.416100 | ||
| NORM | 1.000000 | < R > | 1.154423 | < R2 > | 1.522637 | < 1/R > | 1.169947 | < 1/R**2 > | 2.902476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.033815 | 1.14281967 |
| 2 | 3p | 6.804233 | -.21960852 |
| 3 | 2p | 12.881023 | .07267393 |
| 4 | 4p | 15.165687 | .01121925 |
| 5 | 5p | 3.725812 | -.00040598 |
| 6 | 5p | 43.460421 | -.00012660 |
| ORB.ENERGY,a.u. | -15.525000 | ||
| NORM | 1.000000 | < R > | .374631 | < R2 > | .171634 | < 1/R > | 3.414419 | < 1/R**2 > | 15.987948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.519174 | .40307693 |
| 2 | 2s | 7.274131 | -.85311761 |
| 3 | 3s | 6.775063 | -.29913391 |
| 4 | 4s | 17.604821 | .00818435 |
| 5 | 3s | 20.935922 | .00798412 |
| 6 | 5s | 34.442509 | .00056233 |
| 7 | 5s | 6.227495 | -.00750172 |
| 8 | 2s | 65.865899 | .00002763 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421967 | < R2 > | .209559 | < 1/R > | 3.472187 | < 1/R**2 > | 49.250826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.156665 | .92131373 |
| 2 | 1s | 23.439360 | .07502091 |
| 3 | 2s | 10.509210 | .02019469 |
| 4 | 3s | 12.678807 | -.02022583 |
| 5 | 4s | 15.265593 | .00919814 |
| 6 | 5s | 41.801701 | .00065064 |
| 7 | 4s | 88.545404 | -.00003563 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091052 | < R2 > | .011126 | < 1/R > | 16.587502 | < 1/R**2 > | 554.417036 |
Total Energy= -422.79796958 a.u.
Kinetic Energy= 422.74854637 a.u.
Potential Energy= -845.54651595 a.u.
Virial Ratio = -2.00011691