(1s 2 2s 2 2p 2 ) 1 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 6.960537 | 1.09823751 |
| 2 | 3p | 8.792126 | -.11629002 |
| 3 | 2p | 16.629099 | .01457702 |
| 4 | 5p | 22.201556 | .00255383 |
| 5 | 4p | 4.844887 | .00006152 |
| 6 | 5p | 7.253213 | .00772531 |
| ORB.ENERGY,a.u. | -21.469000 | ||
| NORM | 1.000000 | < R > | .352821 | < R2 > | .151073 | < 1/R > | 3.593589 | < 1/R**2 > | 17.533874 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329092 | .38690958 |
| 2 | 2s | 6.714088 | -.83144171 |
| 3 | 3s | 8.506519 | -.28848181 |
| 4 | 4s | 31.600147 | .00102956 |
| 5 | 5s | 18.751485 | -.00755922 |
| 6 | 5s | 10.606619 | .02709055 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .403732 | < R2 > | .190925 | < 1/R > | 3.637272 | < 1/R**2 > | 53.646719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.127505 | .96195150 |
| 2 | 1s | 27.374594 | .04316744 |
| 3 | 2s | 15.092776 | .01920865 |
| 4 | 3s | 24.794799 | -.01216584 |
| 5 | 4s | 21.124871 | -.01189878 |
| 6 | 5s | 43.029096 | .00061778 |
| 7 | 5s | 11.713801 | .00024254 |
| 8 | 3s | 69.058606 | -.00004744 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090726 | < R2 > | .011030 | < 1/R > | 16.625738 | < 1/R**2 > | 556.403816 |
Total Energy= -381.16224270 a.u.
Kinetic Energy= 380.86710971 a.u.
Potential Energy= -762.02935241 a.u.
Virial Ratio = -2.00077490