(1s 2 2s 2 2p 1 3p 1 ) 3 P C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2p | 1.234943 | .08899402 |
| 2 | 3p | .480735 | -1.16855447 |
| 3 | 2p | 3.798590 | .01022165 |
| 4 | 4p | 4.103103 | .00634121 |
| 5 | 5p | .622970 | .15281772 |
| ORB.ENERGY,a.u. | -.094736 | ||
| NORM | 1.000000 | < R > | 7.199905 | < R2 > | 58.911710 | < 1/R > | .160704 | < 1/R**2 > | .032781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.566071 | .83024268 |
| 2 | 2p | 2.797865 | .19550399 |
| 3 | 2p | 6.744659 | .00987576 |
| 4 | 3p | .583121 | -.09185268 |
| 5 | 4p | 1.390457 | .03397236 |
| 6 | 5p | .530332 | -.02112166 |
| 7 | 5p | 13.577095 | -.00019940 |
| ORB.ENERGY,a.u. | -.693980 | ||
| NORM | 1.000000 | < R > | 1.467216 | < R2 > | 2.917441 | < 1/R > | .897685 | < 1/R**2 > | 1.129673 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.542816 | .24220292 |
| 2 | 2s | 1.611718 | -.75501588 |
| 3 | 3s | 2.755251 | -.27605331 |
| 4 | 4s | 11.188540 | .00295386 |
| 5 | 5s | 5.760234 | -.02683215 |
| 6 | 5s | 3.584635 | .01801862 |
| 7 | 4s | 25.562722 | .00005354 |
| 8 | 4s | .845730 | -.00117031 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.479113 | < R2 > | 2.603811 | < 1/R > | .959031 | < 1/R**2 > | 3.700575 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.212452 | .71604964 |
| 2 | 1s | 8.200935 | .22612682 |
| 3 | 1s | 2.428378 | .00378642 |
| 4 | 2s | 6.452332 | .08037577 |
| 5 | 3s | 6.773656 | -.01404356 |
| 6 | 4s | 10.920528 | .00563544 |
| 7 | 5s | 42.236473 | -.00002717 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268128 | < R2 > | .096902 | < 1/R > | 5.668168 | < 1/R**2 > | 65.296963 |
Total Energy= -37.38475778 a.u.
Kinetic Energy= 37.38696081 a.u.
Potential Energy= -74.77171860 a.u.
Virial Ratio = -1.99994107