(1s 2 2s 2 2p 2 3p 1 ) 4 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 1.563633 | -1.19941692 |
| 2 | 2p | 2.326236 | .40486076 |
| 3 | 2p | 6.644510 | .03874949 |
| 4 | 4p | 7.959505 | .01039918 |
| 5 | 5p | 4.217426 | -.01719750 |
| 6 | 5p | 1.523059 | -.00986200 |
| ORB.ENERGY,a.u. | -1.147600 | ||
| NORM | 1.000000 | < R > | 2.483342 | < R2 > | 6.894828 | < 1/R > | .484374 | < 1/R**2 > | .396925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.293894 | .85250260 |
| 2 | 2p | 5.513424 | .18045264 |
| 3 | 2p | 12.260004 | .00636964 |
| 4 | 3p | 2.966477 | .00397207 |
| 5 | 4p | 1.822670 | -.06788464 |
| 6 | 5p | 50.828188 | .00002668 |
| 7 | 5p | 1.411911 | -.00260467 |
| ORB.ENERGY,a.u. | -4.059100 | ||
| NORM | 1.000000 | < R > | .684112 | < R2 > | .574451 | < 1/R > | 1.862377 | < 1/R**2 > | 4.750300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.202770 | .34972823 |
| 2 | 2s | 3.930196 | -.83866845 |
| 3 | 3s | 3.650885 | -.27869870 |
| 4 | 4s | 11.625719 | .01453061 |
| 5 | 3s | 13.650717 | .00924451 |
| 6 | 5s | 3.422315 | -.01286098 |
| 7 | 5s | 35.380072 | -.00033324 |
| 8 | 4s | 52.080955 | -.00008752 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .769975 | < R2 > | .699561 | < 1/R > | 1.879140 | < 1/R**2 > | 14.384493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.706736 | .61321078 |
| 2 | 1s | 13.271409 | .30148685 |
| 3 | 1s | 6.002499 | .00722691 |
| 4 | 2s | 10.358809 | .13443753 |
| 5 | 3s | 10.786126 | -.04340152 |
| 6 | 4s | 18.479029 | .00283869 |
| 7 | 5s | 60.411452 | -.00004108 |
| 8 | 5s | 6.592786 | .00035659 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157035 | < R2 > | .033147 | < 1/R > | 9.639618 | < 1/R**2 > | 187.829415 |
Total Energy= -121.69032222 a.u.
Kinetic Energy= 121.69101856 a.u.
Potential Energy= -243.38134078 a.u.
Virial Ratio = -1.99999428