(1s 2 2s 1 4s 1 ) 1 S O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 6.186185 | .06911132 |
| 2 | 2s | 1.441121 | -1.33111307 |
| 3 | 3s | 1.432552 | 3.76348097 |
| 4 | 4s | 1.339108 | -3.12334212 |
| 5 | 5s | 2.398790 | .17585229 |
| 6 | 4s | 4.149388 | -.05885696 |
| 7 | 5s | 15.712188 | .00162656 |
| 8 | 4s | 22.792755 | .00030003 |
| ORB.ENERGY,a.u. | -.882210 | ||
| NORM | 1.000000 | < R > | 4.257742 | < R2 > | 20.271757 | < 1/R > | .299379 | < 1/R**2 > | .370285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.714731 | .30360727 |
| 2 | 2s | 1.836449 | -.70993348 |
| 3 | 3s | 4.264535 | -.64902573 |
| 4 | 4s | 2.366713 | .44153658 |
| 5 | 5s | 1.333532 | -.13803313 |
| 6 | 5s | 9.393948 | -.01300020 |
| 7 | 3s | 15.057184 | -.00025589 |
| 8 | 3s | .756213 | .02746571 |
| 9 | 4s | .661218 | -.00529042 |
| 10 | 4s | 35.750832 | -.00004277 |
| ORB.ENERGY,a.u. | -4.763100 | ||
| NORM | 1.000000 | < R > | .900519 | < R2 > | 1.062087 | < 1/R > | 1.657942 | < 1/R**2 > | 11.121354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.220263 | .87961253 |
| 2 | 1s | 11.178439 | .12304534 |
| 3 | 2s | 6.217520 | .02274316 |
| 4 | 3s | 7.716573 | -.02599610 |
| 5 | 4s | 14.545858 | .00420274 |
| 6 | 5s | 11.016145 | .00121460 |
| 7 | 5s | 3.317070 | .00055117 |
| 8 | 4s | 1.055669 | -.00037879 |
| 9 | 5s | 50.873260 | -.00003703 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197160 | < R2 > | .052211 | < 1/R > | 7.677020 | < 1/R**2 > | 119.217437 |
Total Energy= -65.06747021 a.u.
Kinetic Energy= 65.05985300 a.u.
Potential Energy= -130.12732321 a.u.
Virial Ratio = -2.00011708