(1s 2 2s 2 2p 1 3p 1 ) 1 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1031.
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 | 3p | .805278 | -1.22910250 |
| 2 | 2p | 1.003828 | .39987723 |
| 3 | 2p | 5.945419 | .00433753 |
| 4 | 4p | 7.794393 | .00179936 |
| 5 | 5p | 4.097817 | -.01796947 |
| 6 | 5p | .779786 | -.06683370 |
| 7 | 4p | .548888 | .00616164 |
| ORB.ENERGY,a.u. | -.296760 | ||
| NORM | 1.000000 | < R > | 5.001681 | < R2 > | 27.779258 | < 1/R > | .225595 | < 1/R**2 > | .063096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.175259 | .91155056 |
| 2 | 2p | 5.438545 | .06848741 |
| 3 | 3p | .684032 | -.08449572 |
| 4 | 5p | 2.440438 | .03536166 |
| 5 | 5p | 5.912328 | .02360971 |
| 6 | 4p | 6.821607 | .01946835 |
| 7 | 5p | 33.753016 | .00003433 |
| 8 | 5p | .705488 | .00768731 |
| ORB.ENERGY,a.u. | -1.423200 | ||
| NORM | 1.000000 | < R > | 1.104635 | < R2 > | 1.557571 | < 1/R > | 1.168420 | < 1/R**2 > | 1.887235 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427243 | .26744378 |
| 2 | 2s | 2.001281 | -.76094420 |
| 3 | 3s | 3.456204 | -.27617541 |
| 4 | 4s | 13.204357 | .00223878 |
| 5 | 5s | 7.047852 | -.02361933 |
| 6 | 5s | 2.218501 | .03278812 |
| 7 | 4s | 29.356282 | .00003148 |
| 8 | 4s | 1.706850 | -.01123781 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180314 | < R2 > | 1.647338 | < 1/R > | 1.209992 | < 1/R**2 > | 5.916677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.247435 | .00601908 |
| 2 | 1s | 6.253637 | .70945394 |
| 3 | 1s | 9.330905 | .22658656 |
| 4 | 2s | 7.137161 | .08428346 |
| 5 | 3s | 7.709056 | -.01451359 |
| 6 | 4s | 12.819362 | .00520247 |
| 7 | 5s | 22.020356 | .00018058 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227680 | < R2 > | .069778 | < 1/R > | 6.663714 | < 1/R**2 > | 90.052266 |
Total Energy= -53.12432053 a.u.
Kinetic Energy= 53.02540428 a.u.
Potential Energy= -106.14972482 a.u.
Virial Ratio = -2.00186545