(1s 2 2s 2 2p 5 5p 1 ) 3 S Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 3.582231 | .04021320 |
| 2 | 3p | .721551 | -.31871483 |
| 3 | 4p | .316594 | 1.55493710 |
| 4 | 5p | .258529 | -1.52461759 |
| 5 | 2p | 8.849289 | .00143998 |
| 6 | 5p | 3.751977 | .01032950 |
| 7 | 5p | .684688 | -.13971533 |
| 8 | 5p | .230266 | -.28752755 |
| ORB.ENERGY,a.u. | -.029434 | ||
| NORM | .999993 | < R > | 24.588385 | < R2 > | 682.417991 | < 1/R > | .057437 | < 1/R**2 > | .013250 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.733582 | .10698250 |
| 2 | 2p | 2.715382 | .64102830 |
| 3 | 2p | 4.580869 | .23712819 |
| 4 | 2p | 8.454266 | .03439717 |
| 5 | 4p | 2.588241 | .09282072 |
| 6 | 4p | 8.979012 | .01226884 |
| 7 | 3p | 2.366582 | -.03927513 |
| 8 | 4p | 42.552499 | .00001867 |
| 9 | 5p | .207604 | .00910894 |
| 10 | 4p | .173997 | -.00826455 |
| ORB.ENERGY,a.u. | -1.368400 | ||
| NORM | 1.000000 | < R > | .876184 | < R2 > | .983778 | < 1/R > | 1.536625 | < 1/R**2 > | 3.419290 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.397145 | .30248673 |
| 2 | 2s | 3.733483 | -.78496086 |
| 3 | 3s | 2.884541 | -.34162909 |
| 4 | 4s | 13.308621 | .01525657 |
| 5 | 3s | 23.322712 | .00194558 |
| 6 | 5s | 1.856712 | -.01708069 |
| 7 | 5s | 24.658596 | .00175000 |
| 8 | 4s | 1.504655 | .02087856 |
| 9 | 3s | 1.109463 | -.00554318 |
| 10 | 2s | 51.130148 | .00003936 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860335 | < R2 > | .890423 | < 1/R > | 1.685527 | < 1/R**2 > | 11.735267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241289 | .92191672 |
| 2 | 1s | 14.465090 | .08151437 |
| 3 | 2s | 5.550064 | .00855905 |
| 4 | 3s | 13.423859 | -.00702198 |
| 5 | 4s | 19.922277 | .00340067 |
| 6 | 5s | 31.694576 | -.00006378 |
| 7 | 5s | 3.653133 | .00023260 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620043 | < 1/R**2 > | 187.253568 |
Total Energy= -127.84622400 a.u.
Kinetic Energy= 127.84731000 a.u.
Potential Energy= -255.69353400 a.u.
Virial Ratio = -1.99999151