(1s 2 2s 2 2p 2 4p 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 4.096072 | .19173702 |
| 2 | 3p | 1.125137 | -.84811810 |
| 3 | 4p | 1.107584 | 2.01237832 |
| 4 | 5p | 2.840987 | -.24068085 |
| 5 | 2p | 10.750810 | .00243446 |
| 6 | 5p | 1.921480 | -.51166276 |
| 7 | 5p | 26.357546 | -.00007917 |
| ORB.ENERGY,a.u. | -.604930 | ||
| NORM | .999999 | < R > | 4.748268 | < R2 > | 25.475663 | < 1/R > | .293063 | < 1/R**2 > | .248254 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.252299 | .79906828 |
| 2 | 2p | 5.179974 | .21318635 |
| 3 | 2p | 10.431909 | .01209040 |
| 4 | 3p | 1.810315 | .00838442 |
| 5 | 4p | 1.675501 | -.00402279 |
| 6 | 5p | 22.222929 | -.00067532 |
| 7 | 4p | 32.577030 | -.00010488 |
| 8 | 5p | .770786 | -.00014511 |
| ORB.ENERGY,a.u. | -4.331200 | ||
| NORM | 1.000000 | < R > | .700297 | < R2 > | .601360 | < 1/R > | 1.833589 | < 1/R**2 > | 4.638255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.197752 | .35094681 |
| 2 | 2s | 3.934234 | -.84003367 |
| 3 | 3s | 3.664053 | -.27806353 |
| 4 | 4s | 11.565306 | .01271787 |
| 5 | 3s | 12.873698 | .01050271 |
| 6 | 5s | 3.426573 | -.01483468 |
| 7 | 5s | 38.013547 | -.00022006 |
| 8 | 4s | 2.449252 | .00350552 |
| 9 | 4s | 56.350390 | -.00005410 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767939 | < R2 > | .695432 | < 1/R > | 1.883951 | < 1/R**2 > | 14.452855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.708547 | .61341369 |
| 2 | 1s | 13.271773 | .30151048 |
| 3 | 1s | 5.765289 | .00702320 |
| 4 | 2s | 10.364184 | .13446093 |
| 5 | 3s | 10.771656 | -.04343657 |
| 6 | 4s | 18.429359 | .00285569 |
| 7 | 5s | 60.713447 | -.00004101 |
| 8 | 5s | 5.901677 | .00025811 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157009 | < R2 > | .033134 | < 1/R > | 9.640639 | < 1/R**2 > | 187.860052 |
Total Energy= -121.14327693 a.u.
Kinetic Energy= 121.14838833 a.u.
Potential Energy= -242.29166526 a.u.
Virial Ratio = -1.99995781