(1s 2 2s 2 2p 1 4p 1 ) 1 S Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 6.944715 | .25344827 |
| 2 | 3p | 3.431210 | -1.04299267 |
| 3 | 5p | 3.382064 | 1.45240115 |
| 4 | 4p | 4.929411 | -.27144161 |
| 5 | 5p | 9.049388 | .05470789 |
| 6 | 4p | 18.013113 | -.00447635 |
| 7 | 5p | 2.918803 | .17282836 |
| 8 | 5p | 43.259799 | -.00048649 |
| 9 | 4p | 66.483639 | -.00008942 |
| 10 | 4p | 1.017295 | -.00016898 |
| ORB.ENERGY,a.u. | -4.756400 | ||
| NORM | 1.000000 | < R > | 1.808668 | < R2 > | 3.689076 | < 1/R > | .709931 | < 1/R**2 > | .969301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.168480 | 1.04214059 |
| 2 | 3p | 3.872738 | -.13174239 |
| 3 | 2p | 15.800504 | .02513971 |
| 4 | 5p | 12.648020 | -.01548131 |
| 5 | 5p | 3.282435 | .15575741 |
| 6 | 4p | 34.039422 | -.00038038 |
| 7 | 3p | 1.904448 | .00184630 |
| ORB.ENERGY,a.u. | -23.318000 | ||
| NORM | 1.000000 | < R > | .346441 | < R2 > | .172728 | < 1/R > | 3.769848 | < 1/R**2 > | 19.173844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.559751 | .38516275 |
| 2 | 2s | 6.576589 | -.81470175 |
| 3 | 3s | 9.429876 | -.28539856 |
| 4 | 4s | 31.372441 | .00138511 |
| 5 | 5s | 18.116742 | -.00837200 |
| 6 | 5s | 7.233261 | .01582321 |
| 7 | 4s | 3.191991 | .00023703 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396439 | < R2 > | .183811 | < 1/R > | 3.709015 | < 1/R**2 > | 55.602856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.192196 | .93695760 |
| 2 | 1s | 24.935980 | .06028180 |
| 3 | 2s | 14.924090 | .02016020 |
| 4 | 3s | 18.334230 | -.01496689 |
| 5 | 4s | 83.680152 | -.00006192 |
| 6 | 5s | 38.607714 | .00069336 |
| 7 | 4s | 4.862455 | .00001236 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090564 | < R2 > | .010982 | < 1/R > | 16.644811 | < 1/R**2 > | 557.397272 |
Total Energy= -364.24311103 a.u.
Kinetic Energy= 364.17413134 a.u.
Potential Energy= -728.41724237 a.u.
Virial Ratio = -2.00018941