(1s 2 2s 2 2p 4 3p 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | .554007 | -.85874212 |
| 2 | 2p | 1.306356 | .10536703 |
| 3 | 2p | 4.339187 | .02753146 |
| 4 | 4p | 3.651177 | .00506052 |
| 5 | 5p | .535145 | -.14320886 |
| 6 | 4p | .327185 | -.08389616 |
| 7 | 3p | 6.629008 | -.00342503 |
| ORB.ENERGY,a.u. | -.093979 | ||
| NORM | 1.000000 | < R > | 7.285899 | < R2 > | 61.404320 | < 1/R > | .163414 | < 1/R**2 > | .040454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.798830 | .66163008 |
| 2 | 2p | 6.009295 | .12243446 |
| 3 | 3p | 2.151004 | .25531401 |
| 4 | 4p | 6.286991 | .04838239 |
| 5 | 5p | 11.482484 | .00313793 |
| 6 | 5p | .555258 | .01391725 |
| 7 | 4p | 2.454526 | .00430193 |
| 8 | 3p | .284699 | .00321001 |
| ORB.ENERGY,a.u. | -.961590 | ||
| NORM | 1.000000 | < R > | .971799 | < R2 > | 1.226173 | < 1/R > | 1.377929 | < 1/R**2 > | 2.732310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.493521 | .30216221 |
| 2 | 2s | 3.278616 | -.83647714 |
| 3 | 3s | 2.604261 | -.31898046 |
| 4 | 4s | 4.797164 | .02999133 |
| 5 | 3s | 8.724980 | .02640155 |
| 6 | 5s | 19.191160 | .00077320 |
| 7 | 5s | 2.258157 | -.00522335 |
| 8 | 3s | 92.493779 | .00000364 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961527 | < R2 > | 1.110166 | < 1/R > | 1.502460 | < 1/R**2 > | 9.286057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231348 | .87201057 |
| 2 | 1s | 12.230653 | .12114803 |
| 3 | 1s | 9.948840 | .00265214 |
| 4 | 2s | 6.010111 | .01818598 |
| 5 | 3s | 8.223509 | -.00757894 |
| 6 | 4s | 17.126487 | .00294336 |
| 7 | 5s | 51.632433 | -.00004114 |
| 8 | 5s | 4.203958 | .00044875 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175675 | < R2 > | .041566 | < 1/R > | 8.632273 | < 1/R**2 > | 150.882461 |
Total Energy= -98.93022597 a.u.
Kinetic Energy= 98.89871932 a.u.
Potential Energy= -197.82894529 a.u.
Virial Ratio = -2.00031857