(1s 2 2s 2 2p 5 5d 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 4d | .201300 | -8.75822066 |
| 2 | 5d | .202648 | 5.94479512 |
| 3 | 5d | .176360 | .14351746 |
| 4 | 3d | .203591 | 3.37245867 |
| 5 | 4d | .806662 | .00977707 |
| 6 | 3d | 1.592446 | .00442444 |
| 7 | 5d | 5.333298 | .00072388 |
| 8 | 4d | 9.206997 | .00015080 |
| ORB.ENERGY,a.u. | -.020170 | ||
| NORM | .999990 | < R > | 34.163929 | < R2 > | 1325.065397 | < 1/R > | .040692 | < 1/R**2 > | .003412 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.699108 | .13323386 |
| 2 | 2p | 2.559921 | .59477362 |
| 3 | 2p | 4.495051 | .30277182 |
| 4 | 2p | 10.267749 | .01867218 |
| 5 | 4p | 2.278184 | .03225950 |
| 6 | 4p | 10.376555 | .01343803 |
| 7 | 3p | 1.664489 | -.01925032 |
| 8 | 3p | 13.924668 | .00248986 |
| ORB.ENERGY,a.u. | -1.382800 | ||
| NORM | 1.000000 | < R > | .875911 | < R2 > | .982119 | < 1/R > | 1.536863 | < 1/R**2 > | 3.420099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.397823 | .30246468 |
| 2 | 2s | 3.733333 | -.78508258 |
| 3 | 3s | 2.884303 | -.34154738 |
| 4 | 4s | 13.308025 | .01528506 |
| 5 | 3s | 23.371133 | .00194839 |
| 6 | 5s | 1.850862 | -.01725057 |
| 7 | 5s | 24.666625 | .00176543 |
| 8 | 4s | 1.499322 | .02117214 |
| 9 | 3s | 1.100583 | -.00558241 |
| 10 | 2s | 51.191318 | .00003976 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860282 | < R2 > | .890291 | < 1/R > | 1.685612 | < 1/R**2 > | 11.736327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.242269 | .92184553 |
| 2 | 1s | 14.461475 | .08150614 |
| 3 | 2s | 5.568216 | .00862717 |
| 4 | 3s | 13.453131 | -.00710181 |
| 5 | 4s | 19.901313 | .00353179 |
| 6 | 5s | 29.468687 | -.00009001 |
| 7 | 5s | 3.686566 | .00023888 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620054 | < 1/R**2 > | 187.253886 |
Total Energy= -127.83812419 a.u.
Kinetic Energy= 127.83798067 a.u.
Potential Energy= -255.67610486 a.u.
Virial Ratio = -2.00000112