(1s 2 2s 2 2p 5 3p 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | .620714 | -.44715189 |
| 2 | 2p | .329315 | -.65866736 |
| 3 | 2p | 3.944184 | .08719134 |
| 4 | 4p | 2.348493 | .03829876 |
| 5 | 5p | .426031 | .12384182 |
| 6 | 5p | 4.284695 | .02258693 |
| 7 | 3p | 6.879991 | -.00744233 |
| 8 | 4p | 19.608810 | -.00008926 |
| ORB.ENERGY,a.u. | -.104860 | ||
| NORM | 1.000000 | < R > | 6.285754 | < R2 > | 45.860111 | < 1/R > | .195368 | < 1/R**2 > | .070095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.721104 | .12821260 |
| 2 | 2p | 2.546847 | .59581557 |
| 3 | 2p | 4.495400 | .30554895 |
| 4 | 2p | 10.021590 | .01965386 |
| 5 | 4p | 2.205308 | .02937258 |
| 6 | 4p | 10.383045 | .01231347 |
| 7 | 3p | 1.598898 | -.01446474 |
| 8 | 3p | 14.470590 | .00176182 |
| 9 | 5p | .594099 | -.00030862 |
| ORB.ENERGY,a.u. | -1.174900 | ||
| NORM | 1.000000 | < R > | .876176 | < R2 > | .982778 | < 1/R > | 1.536498 | < 1/R**2 > | 3.418690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.397634 | .30236886 |
| 2 | 2s | 3.734131 | -.78425500 |
| 3 | 3s | 2.885548 | -.34201662 |
| 4 | 4s | 13.307545 | .01525728 |
| 5 | 3s | 23.320750 | .00194910 |
| 6 | 5s | 1.843819 | -.01770743 |
| 7 | 5s | 24.653154 | .00175221 |
| 8 | 4s | 1.485115 | .02328397 |
| 9 | 3s | 1.114514 | -.00777575 |
| 10 | 2s | 51.076289 | .00003960 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860628 | < R2 > | .891128 | < 1/R > | 1.685015 | < 1/R**2 > | 11.728688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241902 | .92187990 |
| 2 | 1s | 14.463972 | .08149229 |
| 3 | 2s | 5.560576 | .00861176 |
| 4 | 3s | 13.435402 | -.00702841 |
| 5 | 4s | 19.919104 | .00343399 |
| 6 | 5s | 31.015414 | -.00007050 |
| 7 | 5s | 3.679949 | .00023484 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157573 | < R2 > | .033437 | < 1/R > | 9.619976 | < 1/R**2 > | 187.251582 |
Total Energy= -127.92447251 a.u.
Kinetic Energy= 127.92268877 a.u.
Potential Energy= -255.84716128 a.u.
Virial Ratio = -2.00001394