(1s 2 2s 2 2p 1 5p 1 ) 3 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 2p | 5.709219 | .36638615 |
| 2 | 3p | 2.706875 | -3.66277325 |
| 3 | 4p | 2.471661 | 9.85143092 |
| 4 | 5p | 2.477717 | -7.01615891 |
| 5 | 2p | 11.281945 | .02296470 |
| 6 | 5p | 4.755182 | -.18142645 |
| 7 | 5p | 37.326387 | -.00041520 |
| 8 | 4p | 57.018301 | -.00007038 |
| ORB.ENERGY,a.u. | -3.046600 | ||
| NORM | .999997 | < R > | 2.879307 | < R2 > | 9.324323 | < 1/R > | .502870 | < 1/R**2 > | .877196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.147550 | 1.08200820 |
| 2 | 3p | 8.645844 | -.09435674 |
| 3 | 2p | 17.642437 | .01164161 |
| 4 | 5p | 21.768402 | .00239556 |
| 5 | 5p | 6.955629 | .00106221 |
| ORB.ENERGY,a.u. | -23.637000 | ||
| NORM | 1.000000 | < R > | .341971 | < R2 > | .141388 | < 1/R > | 3.690747 | < 1/R**2 > | 18.397021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.558059 | .38554263 |
| 2 | 2s | 6.580979 | -.81482743 |
| 3 | 3s | 9.417233 | -.28558893 |
| 4 | 4s | 31.626758 | .00126781 |
| 5 | 5s | 18.203815 | -.00890717 |
| 6 | 5s | 7.254972 | .01694941 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396128 | < R2 > | .183505 | < 1/R > | 3.712035 | < 1/R**2 > | 55.685685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.193011 | .93672389 |
| 2 | 1s | 24.938654 | .06038721 |
| 3 | 2s | 15.018575 | .02021228 |
| 4 | 3s | 18.372488 | -.01489231 |
| 5 | 4s | 83.011754 | -.00006133 |
| 6 | 5s | 38.959176 | .00068373 |
| 7 | 5s | 9.151670 | .00003501 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090557 | < R2 > | .010980 | < 1/R > | 16.645788 | < 1/R**2 > | 557.449228 |
Total Energy= -362.45455668 a.u.
Kinetic Energy= 362.46657745 a.u.
Potential Energy= -724.92113412 a.u.
Virial Ratio = -1.99996684