(1s 2 2s 2 2p 1 3s 1 ) 1 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 5.420992 | .04587868 |
| 2 | 2s | 1.530923 | -.20241108 |
| 3 | 3s | .573009 | .94495798 |
| 4 | 4s | 3.910958 | -.02411996 |
| 5 | 5s | 6.866988 | -.00387096 |
| 6 | 5s | 1.144165 | .08078253 |
| 7 | 4s | .443705 | .02037279 |
| ORB.ENERGY,a.u. | -.124420 | ||
| NORM | 1.000000 | < R > | 6.210356 | < R2 > | 43.766987 | < 1/R > | .197604 | < 1/R**2 > | .152499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.591567 | .51902458 |
| 2 | 2p | 2.164517 | .50305032 |
| 3 | 2p | 6.902288 | .00816177 |
| 4 | 3p | 2.776224 | -.10435420 |
| 5 | 4p | 1.817786 | .10500377 |
| 6 | 4p | 9.399871 | -.00065138 |
| 7 | 5p | 1.060582 | -.01516022 |
| 8 | 3p | .943545 | .03110397 |
| ORB.ENERGY,a.u. | -.647500 | ||
| NORM | 1.000000 | < R > | 1.474988 | < R2 > | 2.693128 | < 1/R > | .882864 | < 1/R**2 > | 1.097512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.573178 | .24137550 |
| 2 | 2s | 1.563119 | -.76141937 |
| 3 | 3s | 2.841312 | -.27336251 |
| 4 | 4s | 11.551639 | .00070246 |
| 5 | 5s | 5.922660 | -.02894864 |
| 6 | 5s | .761516 | .01087900 |
| 7 | 4s | 11.679180 | .00131438 |
| 8 | 4s | 1.512432 | .02881195 |
| 9 | 2s | 34.599459 | -.00000424 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.469338 | < R2 > | 2.562926 | < 1/R > | .963887 | < 1/R**2 > | 3.733641 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.214096 | .71538749 |
| 2 | 1s | 8.194282 | .22663549 |
| 3 | 1s | 2.340293 | .00351961 |
| 4 | 2s | 6.463751 | .08048174 |
| 5 | 3s | 6.873700 | -.01392182 |
| 6 | 4s | 10.862967 | .00601898 |
| 7 | 5s | .915137 | -.00046731 |
| 8 | 3s | 24.469826 | -.00007207 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268124 | < R2 > | .096906 | < 1/R > | 5.668226 | < 1/R**2 > | 65.297682 |
Total Energy= -37.42003274 a.u.
Kinetic Energy= 37.41661555 a.u.
Potential Energy= -74.83664829 a.u.
Virial Ratio = -2.00009133