(1s 2 2s 2 2p 1 3d 1 ) 3 F O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3d- electron | |
| 1 | 3d | 1.081616 | .87599604 |
| 2 | 4d | 6.941271 | -.00043947 |
| 3 | 5d | 29.303695 | .00001035 |
| 4 | 3d | 2.732371 | .07478914 |
| 5 | 4d | 1.002760 | .06148609 |
| 6 | 5d | 2.435492 | .03574740 |
| ORB.ENERGY,a.u. | -.530150 | ||
| NORM | 1.000000 | < R > | 3.152935 | < R2 > | 11.567160 | < 1/R > | .380365 | < 1/R**2 > | .181140 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.514578 | .81694099 |
| 2 | 2p | 4.077416 | .19138156 |
| 3 | 2p | 8.966964 | .00974836 |
| 4 | 3p | 2.428776 | -.00176283 |
| 5 | 4p | 1.925639 | .02084496 |
| 6 | 4p | 14.279196 | -.00059306 |
| 7 | 5p | 1.037811 | .00049813 |
| ORB.ENERGY,a.u. | -2.446000 | ||
| NORM | 1.000000 | < R > | .922543 | < R2 > | 1.048349 | < 1/R > | 1.396713 | < 1/R**2 > | 2.700449 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.276622 | .28804195 |
| 2 | 2s | 2.436373 | -.76173332 |
| 3 | 3s | 4.087653 | -.28638050 |
| 4 | 4s | 13.813947 | .00272971 |
| 5 | 5s | 8.288468 | -.01723817 |
| 6 | 5s | 2.725597 | .02229011 |
| 7 | 4s | 23.452019 | .00014687 |
| 8 | 4s | 1.900039 | -.00370193 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .986341 | < R2 > | 1.147651 | < 1/R > | 1.457316 | < 1/R**2 > | 8.603700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355835 | .73321057 |
| 2 | 1s | 10.723012 | .19845105 |
| 3 | 1s | 3.559244 | .00381573 |
| 4 | 2s | 7.716995 | .09872343 |
| 5 | 3s | 8.675222 | -.02314888 |
| 6 | 4s | 14.545146 | .00526975 |
| 7 | 5s | 28.156304 | .00015221 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197777 | < R2 > | .052595 | < 1/R > | 7.660781 | < 1/R**2 > | 118.815993 |
Total Energy= -71.61397374 a.u.
Kinetic Energy= 71.62489533 a.u.
Potential Energy= -143.23886908 a.u.
Virial Ratio = -1.99984752