(1s 2 2s 2 2p 5 5s 1 ) 1 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 8.096099 | .01418661 |
| 2 | 2s | 4.519176 | -.02490057 |
| 3 | 3s | .880217 | .26737479 |
| 4 | 4s | .397743 | -2.20268971 |
| 5 | 5s | .267285 | .85909469 |
| 6 | 5s | 4.092137 | -.01808542 |
| 7 | 4s | 5.607272 | -.01655876 |
| 8 | 3s | .262840 | 1.68358355 |
| 9 | 5s | 11.771557 | -.00076863 |
| 10 | 4s | .184788 | -.05433048 |
| ORB.ENERGY,a.u. | -.035769 | ||
| NORM | .999996 | < R > | 21.024398 | < R2 > | 497.060901 | < 1/R > | .065118 | < 1/R**2 > | .029635 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.720204 | .13422892 |
| 2 | 2p | 2.547236 | .59124634 |
| 3 | 2p | 4.493154 | .30690189 |
| 4 | 2p | 10.221539 | .01866267 |
| 5 | 4p | 2.208957 | .02775447 |
| 6 | 4p | 10.441153 | .01277147 |
| 7 | 3p | 1.620824 | -.01576082 |
| 8 | 3p | 14.222186 | .00216073 |
| ORB.ENERGY,a.u. | -1.360200 | ||
| NORM | 1.000000 | < R > | .876078 | < R2 > | .982570 | < 1/R > | 1.536668 | < 1/R**2 > | 3.419388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.251808 | .26159452 |
| 2 | 2s | 2.754081 | -.74855503 |
| 3 | 3s | 5.655683 | -.24092907 |
| 4 | 4s | 4.603457 | -.05015994 |
| 5 | 5s | 11.312691 | -.01133011 |
| 6 | 5s | 2.818239 | -.01687023 |
| 7 | 3s | 38.038086 | -.00013661 |
| 8 | 4s | .389252 | -.01050845 |
| 9 | 3s | .269436 | .01080969 |
| 10 | 4s | 63.294262 | .00003432 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860189 | < R2 > | .891694 | < 1/R > | 1.685833 | < 1/R**2 > | 11.738920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241470 | .92195089 |
| 2 | 1s | 14.466177 | .08147398 |
| 3 | 2s | 5.554194 | .00856930 |
| 4 | 3s | 13.424968 | -.00703565 |
| 5 | 4s | 19.923915 | .00341092 |
| 6 | 5s | 31.530782 | -.00006618 |
| 7 | 5s | 3.724862 | .00023002 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620047 | < 1/R**2 > | 187.253664 |
Total Energy= -127.85394382 a.u.
Kinetic Energy= 127.85355655 a.u.
Potential Energy= -255.70750037 a.u.
Virial Ratio = -2.00000303