(1s 2 2s 2 2p 5 5p 1 ) 3 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 4.786086 | .20620319 |
| 2 | 3p | 2.306605 | -1.81739957 |
| 3 | 4p | 1.897461 | 4.36689302 |
| 4 | 5p | 1.716636 | -3.23890900 |
| 5 | 5p | 1.587866 | -.12501732 |
| 6 | 2p | 9.909626 | .04894484 |
| 7 | 5p | 15.506272 | .00214394 |
| 8 | 4p | 36.314189 | -.00013863 |
| ORB.ENERGY,a.u. | -1.461100 | ||
| NORM | .999998 | < R > | 3.998150 | < R2 > | 17.973140 | < 1/R > | .360205 | < 1/R**2 > | .482896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.883054 | 1.18755184 |
| 2 | 3p | 6.945513 | -.25382510 |
| 3 | 2p | 13.038068 | .06605327 |
| 4 | 4p | 15.779962 | .00937790 |
| 5 | 5p | 39.644674 | -.00013804 |
| 6 | 5p | 3.734009 | .00136995 |
| 7 | 4p | 1.435080 | .00048688 |
| 8 | 3p | 2.098146 | -.00152181 |
| ORB.ENERGY,a.u. | -14.322000 | ||
| NORM | 1.000000 | < R > | .387046 | < R2 > | .184083 | < 1/R > | 3.323546 | < 1/R**2 > | 15.242923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.629102 | .39082885 |
| 2 | 2s | 7.160106 | -.84132329 |
| 3 | 3s | 6.496141 | -.30448753 |
| 4 | 4s | 18.912509 | .00441217 |
| 5 | 3s | 20.375102 | .00690001 |
| 6 | 5s | 36.658004 | .00043993 |
| 7 | 5s | 5.420848 | -.00387265 |
| 8 | 4s | 3.582388 | .00378842 |
| 9 | 3s | 2.828080 | -.00261247 |
| 10 | 2s | 75.216150 | .00001273 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429484 | < R2 > | .217463 | < 1/R > | 3.408050 | < 1/R**2 > | 47.577842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183630 | .92695677 |
| 2 | 1s | 23.719219 | .06885698 |
| 3 | 2s | 10.133998 | .02132564 |
| 4 | 3s | 12.560574 | -.02160893 |
| 5 | 4s | 15.573466 | .01061931 |
| 6 | 5s | 40.396948 | .00069927 |
| 7 | 4s | 93.228396 | -.00003780 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091155 | < R2 > | .011158 | < 1/R > | 16.575901 | < 1/R**2 > | 553.820671 |
Total Energy= -433.46154274 a.u.
Kinetic Energy= 433.46593366 a.u.
Potential Energy= -866.92747641 a.u.
Virial Ratio = -1.99998987