(1s 2 2s 1 5p 1 ) 1 P N 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | .762686 | 2.34633201 |
| 2 | 3p | 1.018304 | -4.85879181 |
| 3 | 4p | .842999 | 7.07136330 |
| 4 | 5p | .816566 | -5.43812985 |
| 5 | 2p | 3.579571 | .07404287 |
| 6 | 5p | 3.744064 | .02495990 |
| 7 | 3p | 7.241202 | -.00385926 |
| ORB.ENERGY,a.u. | -.335290 | ||
| NORM | .999999 | < R > | 8.699258 | < R2 > | 85.249100 | < 1/R > | .169746 | < 1/R**2 > | .106873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.882909 | .34872882 |
| 2 | 2s | 2.651082 | -.84907515 |
| 3 | 3s | 3.201220 | -.23657591 |
| 4 | 4s | 7.907204 | .01668401 |
| 5 | 3s | 8.171958 | .02072184 |
| 6 | 5s | 4.875640 | -.01656900 |
| 7 | 4s | 2.509672 | -.00690300 |
| 8 | 5s | 31.747432 | -.00009889 |
| 9 | 2s | 55.611280 | .00000556 |
| ORB.ENERGY,a.u. | -3.421700 | ||
| NORM | 1.000000 | < R > | 1.054303 | < R2 > | 1.296782 | < 1/R > | 1.366835 | < 1/R**2 > | 7.538467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.276647 | .89138380 |
| 2 | 1s | 9.957600 | .11472767 |
| 3 | 2s | 4.515506 | .01889642 |
| 4 | 3s | 5.827147 | -.02680141 |
| 5 | 4s | 6.484605 | .00549127 |
| 6 | 5s | 16.366303 | .00203370 |
| 7 | 5s | 53.419494 | -.00004084 |
| 8 | 5s | 2.977821 | .00017749 |
| ORB.ENERGY,a.u. | -17.948000 |
| NORM | 1.000000 | < R > | .226989 | < R2 > | .069279 | < 1/R > | 6.677383 | < 1/R**2 > | 90.346771 |
Total Energy= -48.66494392 a.u.
Kinetic Energy= 48.66210709 a.u.
Potential Energy= -97.32705100 a.u.
Virial Ratio = -2.00005830