(1s 2 2s 2 2p 3 5s 1 ) 5 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 13.151744 | .08392140 |
| 2 | 2s | 4.798601 | -.52903071 |
| 3 | 3s | 2.713657 | 2.92692935 |
| 4 | 4s | 2.371417 | -5.77002472 |
| 5 | 5s | 2.145433 | 3.86420644 |
| 6 | 5s | 17.152666 | -.00472301 |
| 7 | 4s | 36.661821 | .00013669 |
| ORB.ENERGY,a.u. | -2.302700 | ||
| NORM | 1.000000 | < R > | 3.270830 | < R2 > | 11.971544 | < 1/R > | .444295 | < 1/R**2 > | 2.007401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.755808 | 1.27757511 |
| 2 | 3p | 8.599425 | -.33812539 |
| 3 | 4p | 10.526594 | .05814033 |
| 4 | 5p | 37.383817 | -.00024417 |
| 5 | 4p | 3.623764 | .01256758 |
| 6 | 3p | 19.721312 | -.00325600 |
| 7 | 5p | 4.042104 | -.01012071 |
| ORB.ENERGY,a.u. | -19.119000 | ||
| NORM | 1.000000 | < R > | .361388 | < R2 > | .158868 | < 1/R > | 3.517861 | < 1/R**2 > | 16.856040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.649733 | .36599808 |
| 2 | 2s | 6.407502 | -.80471913 |
| 3 | 3s | 9.678214 | -.25291125 |
| 4 | 4s | 26.537430 | .00321550 |
| 5 | 5s | 9.333395 | -.03868623 |
| 6 | 4s | 1.681012 | .08777068 |
| 7 | 5s | 1.933277 | -.05414694 |
| 8 | 3s | 26.298572 | .00096278 |
| 9 | 3s | 1.402837 | -.03534832 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412353 | < R2 > | .199605 | < 1/R > | 3.556628 | < 1/R**2 > | 51.478655 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181145 | .94027357 |
| 2 | 1s | 25.063262 | .05747975 |
| 3 | 2s | 14.022845 | .01876918 |
| 4 | 3s | 19.804443 | -.01500810 |
| 5 | 4s | 29.311522 | .00272353 |
| 6 | 5s | 54.004914 | .00021037 |
| 7 | 5s | 10.539348 | .00019145 |
| 8 | 4s | 2.413293 | -.00245319 |
| 9 | 3s | 1.805186 | .00248821 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090889 | < R2 > | .011079 | < 1/R > | 16.606509 | < 1/R**2 > | 555.402451 |
Total Energy= -402.95900719 a.u.
Kinetic Energy= 402.96701682 a.u.
Potential Energy= -805.92602401 a.u.
Virial Ratio = -1.99998012