(1s 2 2s 2 2p 3 4p 1 ) 3 P Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 2.802743 | .17145487 |
| 2 | 3p | .928779 | -1.67870309 |
| 3 | 4p | .864250 | 2.46667733 |
| 4 | 5p | 1.858664 | -.10991462 |
| 5 | 2p | 7.442859 | .01303444 |
| 6 | 5p | .929030 | -.22319764 |
| 7 | 4p | 10.161599 | .00119586 |
| 8 | 5p | 5.827574 | -.01398172 |
| ORB.ENERGY,a.u. | -.353450 | ||
| NORM | .999999 | < R > | 6.100089 | < R2 > | 41.956743 | < 1/R > | .216433 | < 1/R**2 > | .114710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.093666 | .79414378 |
| 2 | 2p | 5.385860 | .20614991 |
| 3 | 2p | 12.016374 | .00619035 |
| 4 | 3p | 2.076442 | .04513068 |
| 5 | 4p | 1.878266 | -.02535278 |
| 6 | 5p | .922226 | .01620451 |
| 7 | 4p | 5.601643 | .00613319 |
| 8 | 5p | 45.322514 | .00004215 |
| 9 | 3p | 52.924251 | .00001177 |
| ORB.ENERGY,a.u. | -3.296900 | ||
| NORM | 1.000000 | < R > | .741527 | < R2 > | .684784 | < 1/R > | 1.747600 | < 1/R**2 > | 4.254663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.250193 | .33399395 |
| 2 | 2s | 3.854758 | -.82427749 |
| 3 | 3s | 3.271496 | -.28629596 |
| 4 | 4s | 12.412195 | .01469877 |
| 5 | 3s | 15.055376 | .00438095 |
| 6 | 5s | 24.327960 | .00063422 |
| 7 | 5s | 5.617837 | -.01070009 |
| 8 | 4s | 7.456014 | -.00454009 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .798025 | < R2 > | .754989 | < 1/R > | 1.811569 | < 1/R**2 > | 13.425070 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065131 | .86835829 |
| 2 | 1s | 13.154550 | .14087286 |
| 3 | 1s | 2.206678 | -.00313227 |
| 4 | 3s | 6.245207 | .00648637 |
| 5 | 4s | 19.382535 | .00300460 |
| 6 | 2s | 8.206225 | -.00828136 |
| 7 | 5s | 58.126943 | -.00002147 |
| 8 | 5s | 4.099301 | .00107089 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157283 | < R2 > | .033279 | < 1/R > | 9.630388 | < 1/R**2 > | 187.556061 |
Total Energy= -124.46395160 a.u.
Kinetic Energy= 124.45764439 a.u.
Potential Energy= -248.92159598 a.u.
Virial Ratio = -2.00005068