(1s 2 2s 2 2p 2 5p 1 ) 2 S N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | .113086 | .07446158 |
| 2 | 2p | 2.323335 | .04620465 |
| 3 | 3p | .200940 | -4.53661756 |
| 4 | 4p | .301042 | 4.35510109 |
| 5 | 5p | .879857 | -.16186015 |
| 6 | 2p | 3.937748 | .00850254 |
| 7 | 5p | 3.406964 | .00405008 |
| 8 | 5p | 1.407629 | -.06639946 |
| 9 | 3p | 6.372457 | -.00151042 |
| ORB.ENERGY,a.u. | -.027900 | ||
| NORM | .999999 | < R > | 26.047782 | < R2 > | 763.874119 | < 1/R > | .053328 | < 1/R**2 > | .010110 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.741796 | .72388182 |
| 2 | 2p | 2.988082 | .28954820 |
| 3 | 2p | 6.975761 | .01537678 |
| 4 | 3p | 1.063230 | .02240876 |
| 5 | 5p | 5.266376 | -.00095232 |
| 6 | 2p | 5.590266 | .00461075 |
| 7 | 5p | 8.328842 | .00368044 |
| 8 | 5p | 1.183466 | -.00727443 |
| ORB.ENERGY,a.u. | -1.001400 | ||
| NORM | 1.000000 | < R > | 1.243983 | < R2 > | 1.933482 | < 1/R > | 1.055749 | < 1/R**2 > | 1.579955 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.902782 | .28582990 |
| 2 | 2s | 2.449546 | -.83303357 |
| 3 | 3s | 1.982122 | -.26778070 |
| 4 | 4s | 8.416284 | .02214613 |
| 5 | 3s | 10.377872 | .00654007 |
| 6 | 5s | 2.790348 | -.01217055 |
| 7 | 5s | 16.599389 | .00089581 |
| 8 | 3s | .930327 | -.00043112 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253095 | < R2 > | 1.875115 | < 1/R > | 1.140626 | < 1/R**2 > | 5.285062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229820 | .71794628 |
| 2 | 1s | 9.301902 | .22518014 |
| 3 | 1s | 2.650137 | .00482608 |
| 4 | 2s | 6.904749 | .08338383 |
| 5 | 3s | 7.780448 | -.02157028 |
| 6 | 4s | 12.682445 | .00690149 |
| 7 | 5s | 28.091420 | .00017099 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228086 | < R2 > | .070096 | < 1/R > | 6.656692 | < 1/R**2 > | 89.910250 |
Total Energy= -53.91465562 a.u.
Kinetic Energy= 53.91590649 a.u.
Potential Energy= -107.83056211 a.u.
Virial Ratio = -1.99997680