(1s 2 2s 1 4p 1 ) 1 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 6.018354 | .49661828 |
| 2 | 3p | 3.589695 | -.98873430 |
| 3 | 5p | 3.209874 | 1.52726613 |
| 4 | 4p | 4.726779 | -.38712593 |
| 5 | 5p | 7.289520 | .07891467 |
| 6 | 4p | 14.757620 | -.01309016 |
| 7 | 5p | 34.313589 | -.00174125 |
| 8 | 4p | 57.731964 | -.00049686 |
| 9 | 3p | 1.646952 | .00492528 |
| 10 | 5p | 84.292816 | .00013852 |
| ORB.ENERGY,a.u. | -4.622500 | ||
| NORM | 1.000000 | < R > | 1.866595 | < R2 > | 3.951656 | < 1/R > | .771635 | < 1/R**2 > | 1.637816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.304922 | .42369085 |
| 2 | 2s | 6.465150 | -.80308892 |
| 3 | 3s | 7.752531 | -.30289276 |
| 4 | 5s | 12.976647 | -.02599879 |
| 5 | 4s | 26.782291 | .00555705 |
| 6 | 5s | 35.708509 | -.00121498 |
| 7 | 5s | 3.536423 | -.00058661 |
| 8 | 3s | 55.687882 | .00005429 |
| ORB.ENERGY,a.u. | -21.771000 | ||
| NORM | 1.000000 | < R > | .437376 | < R2 > | .223100 | < 1/R > | 3.371969 | < 1/R**2 > | 45.825726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.416895 | .93975733 |
| 2 | 1s | 23.016733 | .04808500 |
| 3 | 2s | 17.524916 | .01664017 |
| 4 | 3s | 8.153852 | .00073929 |
| 5 | 4s | 58.365079 | -.00053064 |
| 6 | 5s | 77.457708 | .00019880 |
| 7 | 5s | 17.231283 | .00091291 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102727 | < R2 > | .014126 | < 1/R > | 14.672280 | < 1/R**2 > | 433.155739 |
Total Energy= -242.77492732 a.u.
Kinetic Energy= 242.75845597 a.u.
Potential Energy= -485.53338329 a.u.
Virial Ratio = -2.00006785