(1s 2 2s 2 2p 1 5p 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 1.569648 | .09280670 |
| 2 | 5p | .815768 | .24079794 |
| 3 | 3p | 6.555613 | -.00148814 |
| 4 | 2p | 3.716800 | .01754250 |
| 5 | 3p | .642046 | -1.35368113 |
| 6 | 4p | .487331 | 3.55469060 |
| 7 | 5p | .449204 | -3.18937550 |
| ORB.ENERGY,a.u. | -.097131 | ||
| NORM | .999996 | < R > | 14.996933 | < R2 > | 252.638662 | < 1/R > | .088935 | < 1/R**2 > | .018500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | .167252 | -.10325201 |
| 2 | 2p | 13.304151 | .00067354 |
| 3 | 2p | 2.307359 | .91060757 |
| 4 | 3p | .359530 | -.07528890 |
| 5 | 2p | 5.009925 | .05622589 |
| 6 | 5p | 2.597108 | .08477155 |
| 7 | 4p | 9.770264 | -.00348672 |
| 8 | 5p | .650319 | .13062117 |
| 9 | 4p | .218078 | .05433053 |
| ORB.ENERGY,a.u. | -1.609700 | ||
| NORM | 1.000000 | < R > | 1.134343 | < R2 > | 1.937833 | < 1/R > | 1.155954 | < 1/R**2 > | 1.855497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427550 | .26753975 |
| 2 | 2s | 2.000694 | -.76142460 |
| 3 | 3s | 3.457854 | -.27608737 |
| 4 | 4s | 13.212107 | .00222784 |
| 5 | 5s | 7.047101 | -.02371949 |
| 6 | 5s | 2.278564 | .03114352 |
| 7 | 4s | 29.311429 | .00003126 |
| 8 | 4s | 1.924983 | -.00856672 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179726 | < R2 > | 1.645344 | < 1/R > | 1.210515 | < 1/R**2 > | 5.921398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.272696 | .00615259 |
| 2 | 1s | 6.254469 | .70934208 |
| 3 | 1s | 9.330436 | .22655050 |
| 4 | 2s | 7.137056 | .08427518 |
| 5 | 3s | 7.706855 | -.01452503 |
| 6 | 4s | 12.806027 | .00523225 |
| 7 | 5s | 22.168954 | .00018065 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227676 | < R2 > | .069775 | < 1/R > | 6.663783 | < 1/R**2 > | 90.053670 |
Total Energy= -52.91272126 a.u.
Kinetic Energy= 52.91292832 a.u.
Potential Energy= -105.82564958 a.u.
Virial Ratio = -1.99999609