(1s 2 2s 2 2p 6 4s 1 ) 2 S Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 13.589517 | .08596895 |
| 2 | 2s | 5.576060 | -.34505682 |
| 3 | 3s | 2.472232 | 1.38188244 |
| 4 | 4s | 2.083154 | -1.88047020 |
| 5 | 5s | 4.198719 | .14381398 |
| 6 | 5s | 18.556031 | -.00348006 |
| 7 | 2s | 36.251547 | -.00002311 |
| ORB.ENERGY,a.u. | -2.076000 | ||
| NORM | 1.000000 | < R > | 2.550664 | < R2 > | 7.308575 | < 1/R > | .550169 | < 1/R**2 > | 2.402414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.575010 | .45354684 |
| 2 | 3p | 7.660480 | .47645273 |
| 3 | 5p | 5.865009 | .01394839 |
| 4 | 4p | 6.496617 | .15815160 |
| 5 | 2p | 23.377296 | .00235346 |
| 6 | 5p | 16.409190 | -.00141379 |
| 7 | 4p | 36.364447 | .00008999 |
| 8 | 3p | 43.547817 | .00007513 |
| 9 | 5p | 2.324186 | -.00010340 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .400744 | < R2 > | .198450 | < 1/R > | 3.230277 | < 1/R**2 > | 14.497315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.676384 | .38061950 |
| 2 | 2s | 7.061887 | -.83664179 |
| 3 | 3s | 6.195163 | -.30772201 |
| 4 | 4s | 28.349382 | .00169949 |
| 5 | 3s | 16.868851 | .00861220 |
| 6 | 4s | 3.802541 | -.00177386 |
| 7 | 5s | 3.175329 | .00072876 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438501 | < R2 > | .227314 | < 1/R > | 3.336195 | < 1/R**2 > | 45.741108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580160 | 1.01108846 |
| 2 | 2s | 20.560809 | -.01845395 |
| 3 | 3s | 15.188804 | .01692626 |
| 4 | 4s | 60.560745 | -.00037910 |
| 5 | 4s | 8.567124 | .00159950 |
| 6 | 5s | 77.329389 | .00010135 |
| 7 | 5s | 9.126369 | -.00071912 |
| 8 | 2s | 28.545983 | -.00347356 |
| 9 | 2s | 147.157992 | .00000337 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091259 | < R2 > | .011189 | < 1/R > | 16.564125 | < 1/R**2 > | 553.214404 |
Total Energy= -446.83591240 a.u.
Kinetic Energy= 446.83591475 a.u.
Potential Energy= -893.67182715 a.u.
Virial Ratio = -1.99999999