(1s 2 2s 2 2p 2 3p 1 ) 2 S N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2031.
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 | 3p- electron | |
| 1 | 3p | .634160 | -.70453685 |
| 2 | 2p | 1.667315 | .13885789 |
| 3 | 2p | 3.568473 | .05047738 |
| 4 | 4p | .526320 | -.35576760 |
| 5 | 5p | 4.489732 | .00634097 |
| 6 | 3p | 6.890311 | -.00284412 |
| ORB.ENERGY,a.u. | -.103930 | ||
| NORM | 1.000000 | < R > | 6.530411 | < R2 > | 49.142106 | < 1/R > | .191777 | < 1/R**2 > | .073092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.746354 | .70555895 |
| 2 | 2p | 2.945365 | .29444725 |
| 3 | 2p | 7.036234 | .01559297 |
| 4 | 3p | 1.353246 | .02914752 |
| 5 | 2p | 4.611986 | .00852531 |
| 6 | 5p | 8.263821 | .00331044 |
| 7 | 5p | 5.261646 | -.00235229 |
| 8 | 5p | .560263 | .00070737 |
| ORB.ENERGY,a.u. | -.847970 | ||
| NORM | 1.000000 | < R > | 1.247591 | < R2 > | 1.947183 | < 1/R > | 1.053697 | < 1/R**2 > | 1.574944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.951133 | .28201181 |
| 2 | 2s | 2.451910 | -.81885052 |
| 3 | 3s | 1.988747 | -.29076448 |
| 4 | 4s | 8.790778 | .02438475 |
| 5 | 3s | 13.877074 | .00385478 |
| 6 | 5s | 1.111219 | -.00097529 |
| 7 | 5s | 15.927484 | .00229316 |
| 8 | 2s | 33.421616 | .00004334 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.254830 | < R2 > | 1.881281 | < 1/R > | 1.139277 | < 1/R**2 > | 5.273539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229713 | .71789692 |
| 2 | 1s | 9.302210 | .22516789 |
| 3 | 1s | 2.668900 | .00494036 |
| 4 | 2s | 6.904807 | .08336068 |
| 5 | 3s | 7.778054 | -.02158008 |
| 6 | 4s | 12.680653 | .00688429 |
| 7 | 5s | 28.038408 | .00017107 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228096 | < R2 > | .070103 | < 1/R > | 6.656528 | < 1/R**2 > | 89.906891 |
Total Energy= -53.98153003 a.u.
Kinetic Energy= 53.99193975 a.u.
Potential Energy= -107.97346978 a.u.
Virial Ratio = -1.99980720