(1s 2 2s 2 2p 6 3s 2 3p 2 5p 1 ) 2 D Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 11.300596 | .00937944 |
| 2 | 2p | 5.497196 | .06025937 |
| 3 | 5p | 2.381030 | -.13467874 |
| 4 | 4p | 15.119696 | .00104967 |
| 5 | 4p | 1.050597 | 1.24691731 |
| 6 | 5p | .778332 | -1.55334269 |
| 7 | 3p | 2.643454 | -.19916955 |
| ORB.ENERGY,a.u. | -.459530 | ||
| NORM | 1.000000 | < R > | 7.868577 | < R2 > | 69.092797 | < 1/R > | .163509 | < 1/R**2 > | .078259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.950152 | .51609539 |
| 2 | 2p | 1.348119 | -.38593414 |
| 3 | 3p | 2.497995 | -.75373875 |
| 4 | 4p | 1.381595 | .10815856 |
| 5 | 3p | 10.786020 | -.06031857 |
| 6 | 4p | 9.029765 | -.09434745 |
| 7 | 4p | .619769 | -.04104812 |
| 8 | 5p | 38.559912 | -.00010556 |
| 9 | 2p | 32.839602 | .00008328 |
| 10 | 5p | .555021 | .00581050 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.517710 | < R2 > | 2.680878 | < 1/R > | .880200 | < 1/R**2 > | 1.701617 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.377399 | -.33389869 |
| 2 | 1s | 12.264214 | .19708869 |
| 3 | 1s | 63.620235 | .00008131 |
| 4 | 2s | 5.673216 | -.22512576 |
| 5 | 3s | 2.697779 | .99644565 |
| 6 | 4s | 4.713563 | .11536086 |
| 7 | 3s | 36.702838 | -.00056451 |
| 8 | 5s | 2.542486 | .08229219 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.413310 | < R2 > | 2.280483 | < 1/R > | .962644 | < 1/R**2 > | 5.413413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.957931 | .41307889 |
| 2 | 3p | 7.908468 | .49210109 |
| 3 | 4p | 6.545066 | .18791797 |
| 4 | 5p | 5.333351 | .01823363 |
| 5 | 5p | 34.459293 | -.00019941 |
| 6 | 3p | 2.455017 | .00155832 |
| 7 | 2p | 24.114350 | .00153234 |
| 8 | 4p | 87.202022 | .00000689 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404822 | < R2 > | .203236 | < 1/R > | 3.206562 | < 1/R**2 > | 14.315903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753766 | .37590532 |
| 2 | 2s | 6.936719 | -.76843028 |
| 3 | 3s | 6.417116 | -.16215847 |
| 4 | 4s | 26.687391 | .00170980 |
| 5 | 2s | 4.894146 | -.19784747 |
| 6 | 3s | 17.870203 | .00648452 |
| 7 | 4s | 2.938776 | -.00051901 |
| 8 | 5s | 44.694239 | .00012094 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440592 | < R2 > | .229848 | < 1/R > | 3.322242 | < 1/R**2 > | 45.402346 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578425 | 1.01107826 |
| 2 | 2s | 20.679082 | -.01844276 |
| 3 | 3s | 15.067591 | .01706266 |
| 4 | 4s | 62.041821 | -.00038882 |
| 5 | 4s | 8.154118 | .00129890 |
| 6 | 5s | 80.181157 | .00011156 |
| 7 | 5s | 8.289643 | -.00056728 |
| 8 | 2s | 28.466751 | -.00340489 |
| 9 | 2s | 162.544477 | .00000228 |
| 10 | 3s | 1.838526 | -.00000756 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561204 | < 1/R**2 > | 553.057135 |
Total Energy= -457.07056890 a.u.
Kinetic Energy= 457.06761848 a.u.
Potential Energy= -914.13818738 a.u.
Virial Ratio = -2.00000646