(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 1 S P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 3p | .946484 | -.37611082 |
| 2 | 5p | 1.126282 | .30172944 |
| 3 | 4p | .716436 | .99123526 |
| 4 | 2p | 4.710725 | .03453049 |
| 5 | 5p | 4.452976 | -.01303567 |
| 6 | 3p | 6.533643 | -.01358246 |
| 7 | 4p | 30.231955 | -.00004227 |
| ORB.ENERGY,a.u. | -.229160 | ||
| NORM | 1.000000 | < R > | 6.539296 | < R2 > | 46.596351 | < 1/R > | .168178 | < 1/R**2 > | .034256 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.033561 | .32209147 |
| 2 | 2p | 1.700201 | -.42306923 |
| 3 | 3p | 1.712556 | -.72373309 |
| 4 | 2p | 8.127484 | .09738697 |
| 5 | 3p | 12.468371 | -.00488565 |
| 6 | 4p | .817094 | .07661308 |
| 7 | 4p | 29.363356 | -.00018445 |
| 8 | 5p | .733669 | .04313172 |
| 9 | 3p | 49.851103 | -.00000717 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.936002 | < R2 > | 4.474148 | < 1/R > | .686070 | < 1/R**2 > | 1.037412 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.398850 | -.14847126 |
| 2 | 1s | 10.617613 | .18582427 |
| 3 | 1s | 39.351003 | .00028930 |
| 4 | 2s | 4.644156 | -.31900908 |
| 5 | 3s | 2.013982 | .91593853 |
| 6 | 4s | 3.494433 | .14931744 |
| 7 | 3s | 29.019773 | -.00059836 |
| 8 | 5s | 1.789804 | .03244393 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.771560 | < R2 > | 3.591875 | < 1/R > | .756657 | < 1/R**2 > | 3.256698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.925215 | .47470139 |
| 2 | 3p | 6.070969 | .49871536 |
| 3 | 4p | 4.807325 | .12611486 |
| 4 | 5p | 3.110706 | .00317181 |
| 5 | 2p | 15.363332 | .00812431 |
| 6 | 4p | 26.419352 | -.00068474 |
| 7 | 3p | 32.747504 | -.00008224 |
| 8 | 3p | 1.342962 | .00001107 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .483004 | < R2 > | .291266 | < 1/R > | 2.708068 | < 1/R**2 > | 10.296004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194957 | .36020566 |
| 2 | 2s | 5.445688 | -.77638009 |
| 3 | 3s | 4.879044 | -.17108740 |
| 4 | 5s | 24.121123 | .00152625 |
| 5 | 2s | 6.754123 | -.17542597 |
| 6 | 3s | 15.537561 | .00747006 |
| 7 | 4s | 3.769408 | -.00391317 |
| 8 | 4s | 28.484495 | .00133887 |
| 9 | 5s | 2.285689 | -.00005082 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514780 | < R2 > | .314690 | < 1/R > | 2.836216 | < 1/R**2 > | 33.153220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560797 | 1.01529310 |
| 2 | 2s | 19.686595 | -.02550399 |
| 3 | 3s | 11.155654 | .01967081 |
| 4 | 4s | 50.667632 | -.00002047 |
| 5 | 4s | 29.798085 | .00126853 |
| 6 | 2s | 59.758897 | .00003415 |
| 7 | 5s | 13.211971 | -.00537416 |
| 8 | 3s | 6.723802 | .00075487 |
| 9 | 4s | 1.884217 | -.00000362 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103796 | < R2 > | .014485 | < 1/R > | 14.574358 | < 1/R**2 > | 428.642621 |
Total Energy= -339.88595540 a.u.
Kinetic Energy= 339.82549639 a.u.
Potential Energy= -679.71145179 a.u.
Virial Ratio = -2.00017791