(1s 2 2s 2 2p 2 5p 1 ) 4 S O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 1.624217 | .09815284 |
| 2 | 3p | .742426 | -.96593367 |
| 3 | 4p | .507146 | 2.90797549 |
| 4 | 5p | .449792 | -2.70540302 |
| 5 | 2p | 4.259307 | .01927314 |
| 6 | 5p | 5.278197 | .00159525 |
| 7 | 3p | 7.816595 | -.00110523 |
| ORB.ENERGY,a.u. | -.098831 | ||
| NORM | 1.000005 | < R > | 14.766734 | < R2 > | 244.866422 | < 1/R > | .090911 | < 1/R**2 > | .021401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.259237 | .75702029 |
| 2 | 2p | 4.045889 | .24278561 |
| 3 | 2p | 9.926970 | .00592951 |
| 4 | 3p | .438914 | -.10950327 |
| 5 | 4p | .557079 | .14868099 |
| 6 | 4p | 4.178343 | .02652978 |
| 7 | 3p | 1.729147 | .01509929 |
| 8 | 5p | 37.384522 | .00003618 |
| 9 | 3p | .337440 | -.04268233 |
| ORB.ENERGY,a.u. | -1.892200 | ||
| NORM | 1.000000 | < R > | .986596 | < R2 > | 1.281264 | < 1/R > | 1.320869 | < 1/R**2 > | 2.439201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680550 | .31130770 |
| 2 | 2s | 2.923390 | -.84308248 |
| 3 | 3s | 2.524307 | -.26506526 |
| 4 | 4s | 9.694542 | .01839130 |
| 5 | 3s | 11.243355 | .00703346 |
| 6 | 5s | 2.699543 | -.00623468 |
| 7 | 5s | 19.694494 | .00062709 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034214 | < R2 > | 1.269166 | < 1/R > | 1.387933 | < 1/R**2 > | 7.838708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339852 | .73695072 |
| 2 | 1s | 10.790257 | .19548084 |
| 3 | 1s | 2.220318 | .00412291 |
| 4 | 2s | 7.732745 | .09951084 |
| 5 | 3s | 8.866380 | -.02278335 |
| 6 | 4s | 15.078898 | .00461658 |
| 7 | 5s | 3.856440 | -.00081675 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198219 | < R2 > | .052890 | < 1/R > | 7.650389 | < 1/R**2 > | 118.571493 |
Total Energy= -73.19897303 a.u.
Kinetic Energy= 73.19899924 a.u.
Potential Energy= -146.39797227 a.u.
Virial Ratio = -1.99999964