(1s 2 2s 2 2p 1 3p 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3.788014 | 1.01675321 |
| 2 | 3p | 4.207979 | -1.93528892 |
| 3 | 2p | 13.996063 | .00639125 |
| 4 | 4p | 7.261631 | .02804766 |
| 5 | 5p | 21.319360 | .00118340 |
| 6 | 5p | 4.004178 | -.01100930 |
| ORB.ENERGY,a.u. | -8.865000 | ||
| NORM | 1.000000 | < R > | .967331 | < R2 > | 1.033094 | < 1/R > | 1.171123 | < 1/R**2 > | 1.780101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.877285 | 1.06919194 |
| 2 | 3p | 4.036388 | -.35503319 |
| 3 | 2p | 12.054365 | .08916554 |
| 4 | 5p | 16.704764 | .00718585 |
| 5 | 4p | 31.171651 | -.00161115 |
| 6 | 5p | 3.476153 | .00969502 |
| 7 | 3p | 39.553890 | -.00028105 |
| 8 | 4p | 2.341212 | -.00529527 |
| 9 | 3p | 1.659884 | .00204967 |
| ORB.ENERGY,a.u. | -22.938000 | ||
| NORM | 1.000000 | < R > | .327886 | < R2 > | .147012 | < 1/R > | 3.940270 | < 1/R**2 > | 20.702368 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.571277 | .38371853 |
| 2 | 2s | 6.561509 | -.81366102 |
| 3 | 3s | 9.414909 | -.28475334 |
| 4 | 4s | 31.502549 | .00127894 |
| 5 | 5s | 18.165941 | -.00853587 |
| 6 | 5s | 7.489924 | .01412653 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397524 | < R2 > | .184930 | < 1/R > | 3.699186 | < 1/R**2 > | 55.338709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.189142 | .93727861 |
| 2 | 1s | 25.029382 | .05982375 |
| 3 | 2s | 15.175134 | .02013917 |
| 4 | 3s | 18.690444 | -.01481629 |
| 5 | 4s | 87.686109 | -.00005119 |
| 6 | 5s | 38.750484 | .00080150 |
| 7 | 4s | 3.802872 | -.00002061 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090587 | < R2 > | .010988 | < 1/R > | 16.641862 | < 1/R**2 > | 557.238065 |
Total Energy= -368.27619815 a.u.
Kinetic Energy= 367.82109787 a.u.
Potential Energy= -736.09729602 a.u.
Virial Ratio = -2.00123729