(1s 2 2s 2 2p 5 4d 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | .239698 | 2.80088059 |
| 2 | 4d | .253398 | -3.26085314 |
| 3 | 3d | 1.562755 | .00457958 |
| 4 | 4d | .421593 | -.08857560 |
| 5 | 3d | 3.259838 | .00140911 |
| 6 | 5d | .212903 | -.02572686 |
| ORB.ENERGY,a.u. | -.031568 | ||
| NORM | 1.000003 | < R > | 20.735147 | < R2 > | 492.128164 | < 1/R > | .063773 | < 1/R**2 > | .006659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.700391 | .13339672 |
| 2 | 2p | 2.560056 | .59449743 |
| 3 | 2p | 4.494902 | .30281472 |
| 4 | 2p | 10.270648 | .01865740 |
| 5 | 4p | 2.279790 | .03227138 |
| 6 | 4p | 10.379105 | .01343973 |
| 7 | 3p | 1.669374 | -.01914605 |
| 8 | 3p | 13.928117 | .00249218 |
| ORB.ENERGY,a.u. | -1.347200 | ||
| NORM | 1.000000 | < R > | .875934 | < R2 > | .982190 | < 1/R > | 1.536844 | < 1/R**2 > | 3.420039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.400983 | .30229459 |
| 2 | 2s | 3.731905 | -.78559172 |
| 3 | 3s | 2.882487 | -.34116905 |
| 4 | 4s | 13.309971 | .01536518 |
| 5 | 3s | 23.395871 | .00198746 |
| 6 | 5s | 1.853085 | -.01728902 |
| 7 | 5s | 24.648694 | .00178980 |
| 8 | 4s | 1.505736 | .02001402 |
| 9 | 3s | 1.067362 | -.00421526 |
| 10 | 2s | 50.658869 | .00004263 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860282 | < R2 > | .890294 | < 1/R > | 1.685614 | < 1/R**2 > | 11.736362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241882 | .92190921 |
| 2 | 1s | 14.464563 | .08147777 |
| 3 | 2s | 5.559057 | .00859341 |
| 4 | 3s | 13.431256 | -.00703172 |
| 5 | 4s | 19.914808 | .00343209 |
| 6 | 5s | 31.052833 | -.00006943 |
| 7 | 5s | 3.668597 | .00023579 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033435 | < 1/R > | 9.620055 | < 1/R**2 > | 187.253922 |
Total Energy= -127.84956636 a.u.
Kinetic Energy= 127.84938413 a.u.
Potential Energy= -255.69895049 a.u.
Virial Ratio = -2.00000143