(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 4 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 2s | 4.782620 | -.10466081 |
| 2 | 3s | 2.355460 | .13634337 |
| 3 | 4s | .647502 | -.65976685 |
| 4 | 5s | 1.136285 | -.24802989 |
| 5 | 4s | 16.133771 | -.00080778 |
| 6 | 5s | 14.812632 | -.00190986 |
| 7 | 3s | 1.985867 | .16452370 |
| 8 | 2s | .372773 | -.14198762 |
| 9 | 1s | 12.440570 | .02678694 |
| ORB.ENERGY,a.u. | -.247720 | ||
| NORM | 1.000000 | < R > | 6.410421 | < R2 > | 46.689131 | < 1/R > | .196917 | < 1/R**2 > | .231927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.078047 | .24979759 |
| 2 | 2p | .952851 | -.99594995 |
| 3 | 3p | 2.048061 | -.31351573 |
| 4 | 2p | 7.921538 | .09190148 |
| 5 | 4p | 1.188782 | .28092937 |
| 6 | 3p | 11.005685 | -.00686315 |
| 7 | 4p | 27.058221 | -.00032335 |
| 8 | 5p | 80.298050 | -.00000898 |
| 9 | 5p | .357522 | -.00026942 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.162192 | < R2 > | 5.485657 | < 1/R > | .612132 | < 1/R**2 > | .827982 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.370701 | 2.05031136 |
| 2 | 1s | 17.079344 | .01587242 |
| 3 | 2s | 5.538171 | -1.01933660 |
| 4 | 3s | 3.078198 | -.37232908 |
| 5 | 4s | 4.815241 | -.34946755 |
| 6 | 5s | 7.363493 | -.09067598 |
| 7 | 4s | 1.726174 | .09165643 |
| 8 | 5s | .841378 | .00771535 |
| 9 | 3s | 48.029299 | -.00006105 |
| 10 | 4s | 86.807759 | .00001072 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.853028 | < R2 > | 3.966924 | < 1/R > | .723984 | < 1/R**2 > | 2.963766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.373109 | .42800776 |
| 2 | 3p | 6.500534 | .49509767 |
| 3 | 2p | 20.149448 | .00249366 |
| 4 | 4p | 5.238957 | .18074878 |
| 5 | 5p | 4.028553 | .01289310 |
| 6 | 3p | 38.818313 | .00006301 |
| 7 | 4p | 87.200427 | -.00000232 |
| 8 | 3p | 1.635926 | .00085650 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483404 | < R2 > | .291833 | < 1/R > | 2.706413 | < 1/R**2 > | 10.285238 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194666 | .35989754 |
| 2 | 2s | 5.438142 | -.77667672 |
| 3 | 3s | 4.856676 | -.17147030 |
| 4 | 4s | 23.631862 | .00226603 |
| 5 | 2s | 6.759803 | -.17610295 |
| 6 | 3s | 15.391853 | .00816492 |
| 7 | 5s | 3.989980 | -.00314239 |
| 8 | 4s | 1.433127 | -.00019281 |
| 9 | 5s | 48.587796 | .00005107 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515289 | < R2 > | .315406 | < 1/R > | 2.833635 | < 1/R**2 > | 33.098289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.437369 | -.00021882 |
| 2 | 1s | 14.570410 | 1.01426023 |
| 3 | 2s | 21.105277 | -.02188110 |
| 4 | 3s | 11.322215 | .01689729 |
| 5 | 4s | 20.106984 | -.00094982 |
| 6 | 5s | 17.680729 | .00342986 |
| 7 | 5s | 62.383280 | -.00003196 |
| 8 | 4s | 12.071414 | -.00660449 |
| 9 | 2s | 54.243047 | .00013056 |
| 10 | 3s | 7.500455 | .00141559 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573898 | < 1/R**2 > | 428.621817 |
Total Energy= -340.46646730 a.u.
Kinetic Energy= 340.47028542 a.u.
Potential Energy= -680.93675273 a.u.
Virial Ratio = -1.99998879