(1s 2 2s 2 2p 1 4p 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 6.909203 | .27048540 |
| 2 | 3p | 3.542663 | -1.04002006 |
| 3 | 5p | 3.410355 | 1.44296376 |
| 4 | 4p | 5.121533 | -.23991586 |
| 5 | 5p | 8.857774 | .04498477 |
| 6 | 4p | 20.142092 | -.00323658 |
| 7 | 5p | 2.910234 | .13804097 |
| 8 | 5p | 44.923666 | -.00040571 |
| 9 | 4p | 68.710462 | -.00008001 |
| ORB.ENERGY,a.u. | -4.832700 | ||
| NORM | 1.000000 | < R > | 1.781340 | < R2 > | 3.582479 | < 1/R > | .724604 | < 1/R**2 > | 1.027174 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.413443 | 1.04554183 |
| 2 | 3p | 4.164382 | -.14494081 |
| 3 | 2p | 28.721370 | .00263296 |
| 4 | 5p | 8.354406 | .04640706 |
| 5 | 4p | 14.063513 | -.01888197 |
| 6 | 5p | 3.302400 | .15647298 |
| 7 | 3p | 29.335310 | .00143894 |
| ORB.ENERGY,a.u. | -23.395000 | ||
| NORM | 1.000000 | < R > | .348296 | < R2 > | .175642 | < 1/R > | 3.762415 | < 1/R**2 > | 19.121507 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.558555 | .38519673 |
| 2 | 2s | 6.579054 | -.81436663 |
| 3 | 3s | 9.424207 | -.28543365 |
| 4 | 4s | 31.424505 | .00135773 |
| 5 | 5s | 18.130544 | -.00851255 |
| 6 | 5s | 7.221182 | .01555567 |
| 7 | 4s | 3.226611 | .00023498 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396449 | < R2 > | .183820 | < 1/R > | 3.708897 | < 1/R**2 > | 55.599204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.191021 | .93679777 |
| 2 | 1s | 24.967627 | .06030454 |
| 3 | 2s | 15.103378 | .02018185 |
| 4 | 3s | 18.484697 | -.01485200 |
| 5 | 4s | 83.830506 | -.00005884 |
| 6 | 5s | 38.946232 | .00070813 |
| 7 | 5s | 9.813006 | .00002983 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090564 | < R2 > | .010982 | < 1/R > | 16.644830 | < 1/R**2 > | 557.398165 |
Total Energy= -364.24541792 a.u.
Kinetic Energy= 364.25023743 a.u.
Potential Energy= -728.49565536 a.u.
Virial Ratio = -1.99998677