(1s 2 2s 1 2p 1 ) 1 P S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 6.882387 | .97259393 |
| 2 | 2p | 9.968696 | .04611238 |
| 3 | 2p | 20.992716 | .00433607 |
| 4 | 3p | 5.604315 | .01549463 |
| 5 | 4p | 11.115168 | -.03017763 |
| 6 | 5p | 39.322927 | -.00021292 |
| 7 | 5p | 5.270031 | -.00085783 |
| ORB.ENERGY,a.u. | -22.126000 | ||
| NORM | 1.000000 | < R > | .358060 | < R2 > | .155081 | < 1/R > | 3.525594 | < 1/R**2 > | 16.779499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.532339 | .39836024 |
| 2 | 2s | 6.401069 | -.81764107 |
| 3 | 3s | 8.681620 | -.29323084 |
| 4 | 4s | 25.260893 | .00704073 |
| 5 | 5s | 31.687769 | -.00175629 |
| 6 | 5s | 6.181329 | .00651592 |
| 7 | 3s | 47.614319 | .00010081 |
| 8 | 4s | 4.327972 | -.00104632 |
| ORB.ENERGY,a.u. | -23.198000 | ||
| NORM | 1.000000 | < R > | .419473 | < R2 > | .205737 | < 1/R > | 3.524137 | < 1/R**2 > | 50.570188 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.394508 | .93618527 |
| 2 | 1s | 23.465791 | .05217056 |
| 3 | 2s | 16.540305 | .01568258 |
| 4 | 3s | 7.509631 | .00260942 |
| 5 | 4s | 56.779461 | -.00028182 |
| 6 | 5s | 15.796448 | .00209615 |
| 7 | 3s | 77.348151 | -.00005410 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096547 | < R2 > | .012505 | < 1/R > | 15.633120 | < 1/R**2 > | 492.138467 |
Total Energy= -294.74211426 a.u.
Kinetic Energy= 294.09150706 a.u.
Potential Energy= -588.83362132 a.u.
Virial Ratio = -2.00221226