(1s 2 2s 2 2p 2 5p 1 ) 4 S Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 4.613985 | .41290747 |
| 2 | 3p | 2.627273 | -3.53815322 |
| 3 | 4p | 2.358211 | 8.08348908 |
| 4 | 5p | 2.284920 | -5.56076226 |
| 5 | 2p | 10.638712 | .03395320 |
| 6 | 5p | 30.919773 | -.00054983 |
| 7 | 4p | 44.876427 | -.00014828 |
| 8 | 4p | 1.633547 | -.01275137 |
| ORB.ENERGY,a.u. | -2.583200 | ||
| NORM | 1.000006 | < R > | 3.111673 | < R2 > | 10.890399 | < 1/R > | .456021 | < 1/R**2 > | .675135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.028181 | 1.20171751 |
| 2 | 3p | 9.133834 | -.24174873 |
| 3 | 4p | 11.255482 | .04042566 |
| 4 | 5p | 2.873149 | .08582834 |
| 5 | 4p | 2.157456 | -.07495443 |
| 6 | 5p | 30.438887 | -.00150428 |
| 7 | 4p | 38.371216 | -.00082607 |
| 8 | 3p | 1.634063 | -.01144255 |
| 9 | 3p | 51.541009 | -.00008097 |
| ORB.ENERGY,a.u. | -21.295000 | ||
| NORM | 1.000000 | < R > | .351276 | < R2 > | .151257 | < 1/R > | 3.608947 | < 1/R**2 > | 17.655476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.331131 | .43077533 |
| 2 | 2s | 7.487593 | -.86867350 |
| 3 | 3s | 7.647529 | -.28599726 |
| 4 | 4s | 28.793403 | .00196755 |
| 5 | 3s | 15.609394 | .01747429 |
| 6 | 5s | 7.706748 | -.02094822 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404065 | < R2 > | .191254 | < 1/R > | 3.634071 | < 1/R**2 > | 53.559329 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060362 | .92145122 |
| 2 | 1s | 24.149777 | .07730463 |
| 3 | 2s | 15.002401 | .01929800 |
| 4 | 3s | 18.602883 | -.01561099 |
| 5 | 5s | 40.371879 | .00085041 |
| 6 | 4s | 97.368882 | -.00003159 |
| 7 | 5s | 12.765907 | .00030988 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090734 | < R2 > | .011032 | < 1/R > | 16.624677 | < 1/R**2 > | 556.347693 |
Total Energy= -383.75150595 a.u.
Kinetic Energy= 383.74408812 a.u.
Potential Energy= -767.49559407 a.u.
Virial Ratio = -2.00001933