(1s 2 2s 2 2p 2 ) 1 D N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 1.887071 | .79866969 |
| 2 | 2p | 3.473152 | .18718935 |
| 3 | 2p | 7.829281 | .00854326 |
| 4 | 3p | 2.251773 | -.01456577 |
| 5 | 4p | 1.756434 | .08796295 |
| 6 | 4p | 12.142551 | -.00053326 |
| ORB.ENERGY,a.u. | -.991390 | ||
| NORM | 1.000000 | < R > | 1.268731 | < R2 > | 2.022047 | < 1/R > | 1.041569 | < 1/R**2 > | 1.547397 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.454656 | .25063377 |
| 2 | 2s | 1.940380 | -.74801057 |
| 3 | 3s | 3.675170 | -.27414717 |
| 4 | 4s | 4.072759 | .01564637 |
| 5 | 5s | 8.022683 | -.01117121 |
| 6 | 5s | 3.276855 | -.03554662 |
| 7 | 3s | 6.399401 | .01976628 |
| 8 | 4s | 1.864465 | -.01854996 |
| 9 | 5s | 38.548907 | -.00004310 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.250202 | < R2 > | 1.866116 | < 1/R > | 1.143441 | < 1/R**2 > | 5.310842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.882434 | .00666906 |
| 2 | 1s | 6.247206 | .71088301 |
| 3 | 1s | 9.356996 | .22505179 |
| 4 | 2s | 7.148182 | .08457623 |
| 5 | 3s | 7.923922 | -.01438728 |
| 6 | 4s | 13.167923 | .00514080 |
| 7 | 5s | 1.769422 | .00003854 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .228056 | < R2 > | .070072 | < 1/R > | 6.657226 | < 1/R**2 > | 89.921194 |
Total Energy= -53.88703470 a.u.
Kinetic Energy= 53.80740623 a.u.
Potential Energy= -107.69444093 a.u.
Virial Ratio = -2.00147988