(1s 2 2s 2 2p 2 4p 1 ) 4 S O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 1.859815 | .11960736 |
| 2 | 3p | .709585 | -1.31321738 |
| 3 | 4p | .591288 | 2.10043165 |
| 4 | 5p | 1.425115 | -.05996273 |
| 5 | 2p | 4.769548 | .01812441 |
| 6 | 5p | .651477 | -.28302936 |
| 7 | 5p | 6.420665 | .00302762 |
| 8 | 4p | 15.247947 | -.00020937 |
| ORB.ENERGY,a.u. | -.164550 | ||
| NORM | 1.000002 | < R > | 8.739397 | < R2 > | 86.057278 | < 1/R > | .146918 | < 1/R**2 > | .044259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.270481 | .77471459 |
| 2 | 2p | 4.055839 | .23340319 |
| 3 | 2p | 9.776024 | .00640468 |
| 4 | 3p | .931512 | -.03916806 |
| 5 | 4p | .571565 | .04207021 |
| 6 | 4p | 4.223906 | .01943082 |
| 7 | 3p | 1.494326 | .02457694 |
| 8 | 5p | 39.144240 | .00003006 |
| ORB.ENERGY,a.u. | -1.822500 | ||
| NORM | 1.000000 | < R > | .984834 | < R2 > | 1.258449 | < 1/R > | 1.323086 | < 1/R**2 > | 2.445543 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.682264 | .31102000 |
| 2 | 2s | 2.921509 | -.84284637 |
| 3 | 3s | 2.522882 | -.26508455 |
| 4 | 4s | 9.700204 | .01816597 |
| 5 | 3s | 11.187771 | .00711659 |
| 6 | 5s | 2.641492 | -.00631327 |
| 7 | 5s | 19.777123 | .00060628 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034788 | < R2 > | 1.270736 | < 1/R > | 1.387199 | < 1/R**2 > | 7.830907 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339826 | .73693385 |
| 2 | 1s | 10.790440 | .19547412 |
| 3 | 1s | 2.235249 | .00413059 |
| 4 | 2s | 7.733076 | .09951029 |
| 5 | 3s | 8.871766 | -.02278087 |
| 6 | 4s | 15.080252 | .00462855 |
| 7 | 5s | 3.851673 | -.00079979 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198224 | < R2 > | .052893 | < 1/R > | 7.650263 | < 1/R**2 > | 118.568516 |
Total Energy= -73.26418825 a.u.
Kinetic Energy= 73.26479823 a.u.
Potential Energy= -146.52898647 a.u.
Virial Ratio = -1.99999167