(1s 2 2s 2 2p 1 5s 1 ) 3 P N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 6.445723 | .03272664 |
| 2 | 2s | 1.288259 | -.27661853 |
| 3 | 3s | 1.103859 | .63807362 |
| 4 | 5s | .683839 | -2.26919233 |
| 5 | 4s | .412707 | 2.78792058 |
| 6 | 5s | 5.516419 | .03152073 |
| 7 | 4s | 4.620967 | -.07425063 |
| 8 | 3s | .309970 | -.42191609 |
| 9 | 3s | 9.448149 | -.00113560 |
| ORB.ENERGY,a.u. | -.110060 | ||
| NORM | 1.000007 | < R > | 13.680344 | < R2 > | 209.534924 | < 1/R > | .102158 | < 1/R**2 > | .096546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.055976 | .84265340 |
| 2 | 2p | 3.475792 | .18308424 |
| 3 | 2p | 8.382021 | .00817356 |
| 4 | 3p | 2.266330 | -.01199071 |
| 5 | 4p | 1.785111 | .01704073 |
| 6 | 4p | 4.892662 | -.00340114 |
| 7 | 5p | 33.662562 | .00003382 |
| 8 | 5p | 1.494972 | -.00233797 |
| ORB.ENERGY,a.u. | -1.643000 | ||
| NORM | 1.000000 | < R > | 1.121942 | < R2 > | 1.548442 | < 1/R > | 1.150014 | < 1/R**2 > | 1.838548 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.386148 | .27023197 |
| 2 | 2s | 2.086367 | -.74180719 |
| 3 | 3s | 3.091247 | -.21892257 |
| 4 | 4s | 5.125678 | -.07622907 |
| 5 | 5s | 8.204091 | -.01125001 |
| 6 | 5s | .707669 | .00531710 |
| 7 | 3s | .356543 | -.00558153 |
| 8 | 4s | 29.680305 | -.00006924 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179577 | < R2 > | 1.645736 | < 1/R > | 1.210817 | < 1/R**2 > | 5.924580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.487398 | .00655481 |
| 2 | 1s | 6.254645 | .70936420 |
| 3 | 1s | 9.333178 | .22621099 |
| 4 | 2s | 7.135512 | .08424723 |
| 5 | 3s | 7.718652 | -.01450056 |
| 6 | 4s | 13.058691 | .00517612 |
| 7 | 5s | 4.005797 | .00012846 |
| 8 | 5s | 56.028166 | -.00001132 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227667 | < R2 > | .069768 | < 1/R > | 6.663930 | < 1/R**2 > | 90.056561 |
Total Energy= -52.92535994 a.u.
Kinetic Energy= 52.92582480 a.u.
Potential Energy= -105.85118474 a.u.
Virial Ratio = -1.99999122