(1s 2 2s 2 2p 1 4p 1 ) 1 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 6.909398 | .26516226 |
| 2 | 3p | 3.514100 | -1.04218433 |
| 3 | 5p | 3.394819 | 1.44973170 |
| 4 | 4p | 5.037496 | -.24615992 |
| 5 | 5p | 8.952937 | .04935434 |
| 6 | 4p | 19.178887 | -.00365933 |
| 7 | 5p | 2.903511 | .14117716 |
| 8 | 5p | 43.921802 | -.00045036 |
| 9 | 4p | 67.288455 | -.00008617 |
| ORB.ENERGY,a.u. | -4.801600 | ||
| NORM | 1.000000 | < R > | 1.792401 | < R2 > | 3.625434 | < 1/R > | .718692 | < 1/R**2 > | 1.004350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.149709 | 1.04598524 |
| 2 | 3p | 3.899622 | -.13436625 |
| 3 | 2p | 15.853571 | .02518617 |
| 4 | 5p | 12.644842 | -.01830236 |
| 5 | 5p | 3.310638 | .16008650 |
| 6 | 4p | 33.729795 | -.00035587 |
| 7 | 3p | 1.690103 | .00098846 |
| ORB.ENERGY,a.u. | -23.364000 | ||
| NORM | 1.000000 | < R > | .347494 | < R2 > | .174326 | < 1/R > | 3.765423 | < 1/R**2 > | 19.142232 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.559794 | .38515288 |
| 2 | 2s | 6.576964 | -.81457151 |
| 3 | 3s | 9.428912 | -.28541560 |
| 4 | 4s | 31.385900 | .00137682 |
| 5 | 5s | 18.121519 | -.00841617 |
| 6 | 5s | 7.225124 | .01574483 |
| 7 | 4s | 3.190786 | .00023137 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396445 | < R2 > | .183816 | < 1/R > | 3.708944 | < 1/R**2 > | 55.600667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.192145 | .93695834 |
| 2 | 1s | 24.936672 | .06028150 |
| 3 | 2s | 14.927505 | .02015756 |
| 4 | 3s | 18.336025 | -.01496550 |
| 5 | 4s | 83.674404 | -.00006195 |
| 6 | 5s | 38.603953 | .00069327 |
| 7 | 4s | 4.796274 | .00001269 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090564 | < R2 > | .010982 | < 1/R > | 16.644822 | < 1/R**2 > | 557.397797 |
Total Energy= -364.24499579 a.u.
Kinetic Energy= 364.21927976 a.u.
Potential Energy= -728.46427555 a.u.
Virial Ratio = -2.00007061