(1s 2 2s 2 2p 2 3p 1 ) 2 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | .242938 | 4.87125507 |
| 2 | 3p | .468715 | -5.28764304 |
| 3 | 4p | .503270 | 1.57478982 |
| 4 | 5p | .369337 | -1.47706748 |
| 5 | 2p | 5.508471 | .00724825 |
| 6 | 5p | 2.092685 | .05055573 |
| 7 | 3p | 3.407327 | -.00643560 |
| 8 | 4p | 14.517149 | .00037121 |
| 9 | 5p | .212732 | -.02730765 |
| 10 | 3p | 69.690717 | -.00000313 |
| ORB.ENERGY,a.u. | -.067980 | ||
| NORM | 1.000017 | < R > | 12.129122 | < R2 > | 184.459676 | < 1/R > | .117036 | < 1/R**2 > | .022077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.699646 | .69944379 |
| 2 | 2p | 2.908673 | .35786831 |
| 3 | 2p | 7.808448 | .01109414 |
| 4 | 4p | .693226 | -.08757279 |
| 5 | 3p | .500223 | .07714212 |
| 6 | 4p | 4.436694 | -.02415798 |
| 7 | 5p | 14.975924 | -.00022380 |
| 8 | 5p | .335441 | .01417378 |
| ORB.ENERGY,a.u. | -.812020 | ||
| NORM | 1.000000 | < R > | 1.243597 | < R2 > | 2.008965 | < 1/R > | 1.057274 | < 1/R**2 > | 1.582506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.852501 | .28916108 |
| 2 | 2s | 2.502293 | -.82943033 |
| 3 | 3s | 1.966013 | -.26354869 |
| 4 | 4s | 7.658255 | .02298381 |
| 5 | 3s | 8.888051 | .01355993 |
| 6 | 5s | 3.064852 | -.03522629 |
| 7 | 5s | 15.096603 | .00091551 |
| 8 | 3s | .702711 | -.00077862 |
| 9 | 2s | 37.765152 | .00000984 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253998 | < R2 > | 1.877841 | < 1/R > | 1.139557 | < 1/R**2 > | 5.273811 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230996 | .71831769 |
| 2 | 1s | 9.300361 | .22528465 |
| 3 | 2s | 6.887919 | .08445838 |
| 4 | 3s | 7.840801 | -.02142167 |
| 5 | 4s | 12.780698 | .00691733 |
| 6 | 1s | 2.037674 | .00359499 |
| 7 | 5s | 29.003473 | .00014708 |
| 8 | 5s | 3.127302 | -.00037734 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000001 | < R > | .228095 | < R2 > | .070103 | < 1/R > | 6.656618 | < 1/R**2 > | 89.909395 |
Total Energy= -53.93010709 a.u.
Kinetic Energy= 53.96099966 a.u.
Potential Energy= -107.89110675 a.u.
Virial Ratio = -1.99942750