(1s 2 2s 2 2p 1 4p 1 ) 1 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | .856216 | .37338789 |
| 2 | 3p | .762814 | -1.45109093 |
| 3 | 4p | .557622 | 1.85629251 |
| 4 | 5p | .739688 | -.28452025 |
| 5 | 2p | 4.287342 | .01272383 |
| 6 | 5p | 7.475824 | .00175694 |
| ORB.ENERGY,a.u. | -.153110 | ||
| NORM | 1.000005 | < R > | 9.441618 | < R2 > | 100.240712 | < 1/R > | .132664 | < 1/R**2 > | .029513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.769762 | .00115642 |
| 2 | 2p | .311329 | -.02036894 |
| 3 | 2p | 2.027884 | .82350276 |
| 4 | 2p | 3.364562 | .20552570 |
| 5 | 2p | 6.769038 | .01259439 |
| 6 | 3p | .652155 | -.08960785 |
| 7 | 4p | .595106 | .11222083 |
| 8 | 5p | .492004 | .02213722 |
| 9 | 5p | 13.889876 | -.00056625 |
| 10 | 4p | 43.513209 | .00000653 |
| ORB.ENERGY,a.u. | -1.563800 | ||
| NORM | 1.000000 | < R > | 1.123534 | < R2 > | 1.780669 | < 1/R > | 1.163178 | < 1/R**2 > | 1.874717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.429517 | .26728562 |
| 2 | 2s | 1.998116 | -.76132545 |
| 3 | 3s | 3.453764 | -.27590031 |
| 4 | 4s | 13.388091 | .00208084 |
| 5 | 5s | 7.052423 | -.02433995 |
| 6 | 5s | 2.305190 | .03244822 |
| 7 | 4s | 31.523269 | .00002326 |
| 8 | 4s | 1.976104 | -.00935348 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180296 | < R2 > | 1.647099 | < 1/R > | 1.209938 | < 1/R**2 > | 5.916023 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.250927 | .00602699 |
| 2 | 1s | 6.253585 | .70943291 |
| 3 | 1s | 9.330726 | .22660058 |
| 4 | 2s | 7.136668 | .08428399 |
| 5 | 3s | 7.711467 | -.01451194 |
| 6 | 4s | 12.822638 | .00520432 |
| 7 | 5s | 22.035187 | .00017881 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227683 | < R2 > | .069781 | < 1/R > | 6.663649 | < 1/R**2 > | 90.050907 |
Total Energy= -52.97488504 a.u.
Kinetic Energy= 52.96304740 a.u.
Potential Energy= -105.93793244 a.u.
Virial Ratio = -2.00022351