(1s 1 2s 1 ) 1 S O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 3.402207 | .39473124 |
| 2 | 2s | 3.261010 | -1.02271066 |
| 3 | 3s | 5.087032 | -.31911823 |
| 4 | 4s | 14.622608 | .00335175 |
| 5 | 5s | 3.467408 | .06051816 |
| 6 | 4s | 2.488313 | -.03277263 |
| 7 | 5s | 2.247702 | .01011336 |
| 8 | 3s | 62.931394 | -.00000793 |
| 9 | 4s | 1.573071 | -.00184461 |
| ORB.ENERGY,a.u. | -6.536700 | ||
| NORM | 1.000000 | < R > | .811666 | < R2 > | .753762 | < 1/R > | 1.456689 | < 1/R**2 > | 3.491713 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.873380 | .90518315 |
| 2 | 1s | 8.120725 | .15520135 |
| 3 | 2s | 3.492314 | -.15832311 |
| 4 | 3s | 4.211842 | -.05608376 |
| 5 | 4s | 16.961742 | .00116683 |
| 6 | 5s | 23.637846 | -.00028755 |
| 7 | 5s | 4.421634 | .00172782 |
| ORB.ENERGY,a.u. | -30.537000 |
| NORM | 1.000000 | < R > | .185267 | < R2 > | .055726 | < 1/R > | 8.349324 | < 1/R**2 > | 137.485202 |
Total Energy= -38.53217427 a.u.
Kinetic Energy= 38.50310831 a.u.
Potential Energy= -77.03528258 a.u.
Virial Ratio = -2.00075490