(1s 2 2s 2 2p 6 5s 1 ) 2 S Cl 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 13.898855 | .05659103 |
| 2 | 2s | 4.910513 | -.29484310 |
| 3 | 3s | 2.347165 | 1.55021633 |
| 4 | 4s | 1.870504 | -3.33367555 |
| 5 | 5s | 1.577535 | 2.61248581 |
| 6 | 5s | 9.492412 | .01205669 |
| 7 | 4s | 15.705104 | -.00381468 |
| 8 | 3s | .877291 | -.00911069 |
| 9 | 3s | 37.223543 | -.00005800 |
| ORB.ENERGY,a.u. | -1.242700 | ||
| NORM | 1.000000 | < R > | 4.244332 | < R2 > | 20.162756 | < 1/R > | .335080 | < 1/R**2 > | 1.116081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.577934 | .45401390 |
| 2 | 3p | 7.658375 | .47563548 |
| 3 | 5p | 5.871816 | .01372128 |
| 4 | 4p | 6.509201 | .15811047 |
| 5 | 2p | 23.115257 | .00236839 |
| 6 | 5p | 17.197161 | -.00099334 |
| 7 | 4p | 47.503164 | .00006483 |
| 8 | 3p | 58.272395 | .00002178 |
| ORB.ENERGY,a.u. | -11.896000 | ||
| NORM | 1.000000 | < R > | .400482 | < R2 > | .198156 | < 1/R > | 3.231886 | < 1/R**2 > | 14.509820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.677951 | .38059773 |
| 2 | 2s | 7.060698 | -.83667636 |
| 3 | 3s | 6.196078 | -.30772324 |
| 4 | 4s | 28.337916 | .00171048 |
| 5 | 3s | 16.881169 | .00853284 |
| 6 | 4s | 3.735417 | -.00134866 |
| 7 | 5s | 3.347691 | .00055890 |
| 8 | 4s | 1.360745 | -.00008305 |
| ORB.ENERGY,a.u. | -14.454000 | ||
| NORM | 1.000000 | < R > | .438421 | < R2 > | .227213 | < 1/R > | 3.336644 | < 1/R**2 > | 45.751039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580223 | 1.01108804 |
| 2 | 2s | 20.560950 | -.01845366 |
| 3 | 3s | 15.190284 | .01692493 |
| 4 | 4s | 60.508271 | -.00037930 |
| 5 | 4s | 8.575130 | .00159734 |
| 6 | 5s | 77.399941 | .00010123 |
| 7 | 5s | 9.144020 | -.00071630 |
| 8 | 2s | 28.547649 | -.00347341 |
| 9 | 2s | 145.062358 | .00000349 |
| ORB.ENERGY,a.u. | -108.560000 |
| NORM | 1.000000 | < R > | .091259 | < R2 > | .011189 | < 1/R > | 16.564196 | < 1/R**2 > | 553.218779 |
Total Energy= -446.00499300 a.u.
Kinetic Energy= 446.00498341 a.u.
Potential Energy= -892.00997641 a.u.
Virial Ratio = -2.00000002