(1s 2 2s 2 2p 6 ) 1 S Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 5.743370 | 1.18691782 |
| 2 | 3p | 6.966760 | -.25697100 |
| 3 | 2p | 12.930096 | .06864608 |
| 4 | 4p | 15.648985 | .01068489 |
| 5 | 5p | 5.614930 | .00842554 |
| 6 | 4p | 5.013083 | -.00127626 |
| 7 | 4p | 70.813829 | .00001672 |
| ORB.ENERGY,a.u. | -12.766000 | ||
| NORM | 1.000000 | < R > | .400268 | < R2 > | .197919 | < 1/R > | 3.233220 | < 1/R**2 > | 14.520240 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.667986 | .38105122 |
| 2 | 2s | 7.085530 | -.83193717 |
| 3 | 3s | 6.185766 | -.31738592 |
| 4 | 4s | 28.521267 | .00168202 |
| 5 | 3s | 16.721907 | .00893437 |
| 6 | 5s | 5.048379 | -.00772902 |
| 7 | 4s | 4.646634 | .01034436 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .438354 | < R2 > | .227128 | < 1/R > | 3.337023 | < 1/R**2 > | 45.759395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183120 | .92783727 |
| 2 | 1s | 24.119218 | .06633600 |
| 3 | 2s | 12.533718 | .02057476 |
| 4 | 3s | 15.416807 | -.01674417 |
| 5 | 4s | 17.065458 | .00874242 |
| 6 | 5s | 40.706934 | .00053209 |
| 7 | 4s | 8.980943 | .00060831 |
| 8 | 3s | 56.606599 | -.00011664 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091258 | < R2 > | .011189 | < 1/R > | 16.564260 | < 1/R**2 > | 553.222719 |
Total Energy= -444.76440729 a.u.
Kinetic Energy= 444.76440740 a.u.
Potential Energy= -889.52881469 a.u.
Virial Ratio = -2.00000000