(1s 2 2s 2 4p 1 ) 2 P Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 6.581446 | .04200717 |
| 2 | 3p | 1.383234 | -4.11933857 |
| 3 | 4p | 1.506018 | 4.00251858 |
| 4 | 5p | 9.723542 | .00587408 |
| 5 | 2p | 2.971137 | .44829968 |
| 6 | 5p | 1.886309 | .49591884 |
| 7 | 4p | 22.164462 | -.00029467 |
| ORB.ENERGY,a.u. | -1.225500 | ||
| NORM | 1.000002 | < R > | 3.517155 | < R2 > | 14.017933 | < 1/R > | .408754 | < 1/R**2 > | .480069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.584919 | .35428789 |
| 2 | 2s | 3.815687 | -.76873328 |
| 3 | 3s | 5.136739 | -.30164287 |
| 4 | 4s | 13.681507 | .00995366 |
| 5 | 5s | 4.713943 | -.02728245 |
| 6 | 3s | 14.160193 | .00419790 |
| 7 | 4s | 2.264040 | .00083724 |
| 8 | 5s | 29.075064 | .00019954 |
| ORB.ENERGY,a.u. | -7.107900 | ||
| NORM | 1.000000 | < R > | .713516 | < R2 > | .595619 | < 1/R > | 2.035380 | < 1/R**2 > | 16.708217 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.286335 | .88736120 |
| 2 | 1s | 13.567020 | .10832366 |
| 3 | 2s | 7.567257 | .01483981 |
| 4 | 3s | 8.706122 | -.00857757 |
| 5 | 4s | 19.059394 | .00381276 |
| 6 | 5s | 5.448121 | -.00007075 |
| ORB.ENERGY,a.u. | -39.975000 |
| NORM | 1.000000 | < R > | .156211 | < R2 > | .032721 | < 1/R > | 9.671548 | < 1/R**2 > | 188.787207 |
Total Energy= -111.33624381 a.u.
Kinetic Energy= 111.33624066 a.u.
Potential Energy= -222.67248446 a.u.
Virial Ratio = -2.00000003