(1s 2 2s 2 2p 2 4p 1 ) 4 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 7.873702 | .28417254 |
| 2 | 3p | 2.773987 | -.74663466 |
| 3 | 5p | 3.053965 | 1.41574091 |
| 4 | 4p | 4.420815 | -.63944617 |
| 5 | 5p | 10.632036 | .02304291 |
| 6 | 4p | 26.604836 | -.00164930 |
| 7 | 5p | 3.776037 | .40566692 |
| 8 | 5p | 63.336742 | -.00011365 |
| 9 | 4p | 97.830099 | -.00002203 |
| ORB.ENERGY,a.u. | -4.157800 | ||
| NORM | 1.000000 | < R > | 1.905284 | < R2 > | 4.107491 | < 1/R > | .745672 | < 1/R**2 > | 1.557916 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.765625 | 1.12253785 |
| 2 | 3p | 7.776490 | -.14938514 |
| 3 | 2p | 16.158605 | .02238473 |
| 4 | 4p | 19.098720 | .00820764 |
| 5 | 5p | 27.220083 | -.00157468 |
| 6 | 5p | 3.132438 | -.00045405 |
| 7 | 4p | 73.401718 | .00003682 |
| ORB.ENERGY,a.u. | -65.146000 | ||
| NORM | 1.000000 | < R > | .351625 | < R2 > | .149943 | < 1/R > | 3.602491 | < 1/R**2 > | 17.602037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.291531 | .43235417 |
| 2 | 2s | 7.515379 | -.86904524 |
| 3 | 3s | 7.677221 | -.28600804 |
| 4 | 4s | 29.063448 | .00198357 |
| 5 | 3s | 15.195758 | .02011620 |
| 6 | 5s | 7.801793 | -.02623831 |
| 7 | 4s | 1.262611 | .00126740 |
| 8 | 5s | 1.477303 | -.00119488 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404378 | < R2 > | .191569 | < 1/R > | 3.631158 | < 1/R**2 > | 53.480339 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.059577 | .92146325 |
| 2 | 1s | 24.151228 | .07730099 |
| 3 | 2s | 14.979339 | .01930916 |
| 4 | 3s | 18.605221 | -.01561055 |
| 5 | 5s | 40.317706 | .00085056 |
| 6 | 4s | 97.384547 | -.00003126 |
| 7 | 5s | 12.951599 | .00029840 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090741 | < R2 > | .011034 | < 1/R > | 16.623833 | < 1/R**2 > | 556.302751 |
Total Energy= -385.28714190 a.u.
Kinetic Energy= 385.31655482 a.u.
Potential Energy= -770.60369672 a.u.
Virial Ratio = -1.99992367