(1s 2 2s 2 2p 2 ) 1 S S 10+
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 | 6.469325 | 1.10160203 |
| 2 | 3p | 8.421456 | -.12624420 |
| 3 | 2p | 14.961733 | .01637244 |
| 4 | 5p | 20.489686 | .00294792 |
| 5 | 4p | 39.440180 | -.00006227 |
| 6 | 5p | 6.798679 | .01954865 |
| 7 | 5p | 6.451644 | -.00596443 |
| 8 | 4p | 5.375331 | .00245640 |
| ORB.ENERGY,a.u. | -17.877000 | ||
| NORM | 1.000000 | < R > | .382558 | < R2 > | .178070 | < 1/R > | 3.324580 | < 1/R**2 > | 15.060566 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.517361 | .38127577 |
| 2 | 2s | 6.248040 | -.83552261 |
| 3 | 3s | 7.836856 | -.28429924 |
| 4 | 4s | 30.196332 | .00090527 |
| 5 | 5s | 17.703204 | -.00923955 |
| 6 | 5s | 9.633480 | .03271553 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .432839 | < R2 > | .219537 | < 1/R > | 3.388159 | < 1/R**2 > | 46.574740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.189489 | .93446047 |
| 2 | 1s | 23.397582 | .06299076 |
| 3 | 2s | 13.694501 | .01927216 |
| 4 | 3s | 17.699241 | -.01360521 |
| 5 | 4s | 84.671627 | -.00004543 |
| 6 | 5s | 37.191384 | .00084759 |
| 7 | 5s | 10.807197 | .00024599 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096550 | < R2 > | .012495 | < 1/R > | 15.627643 | < 1/R**2 > | 491.784242 |
Total Energy= -334.92382478 a.u.
Kinetic Energy= 334.24514917 a.u.
Potential Energy= -669.16897396 a.u.
Virial Ratio = -2.00203047