(1s 2 2s 2 2p 1 4p 1 ) 3 S S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 7.127314 | .32683742 |
| 2 | 3p | 3.140398 | -.81836009 |
| 3 | 5p | 3.149228 | 1.34694030 |
| 4 | 4p | 4.462306 | -.40982525 |
| 5 | 5p | 8.909035 | .03856245 |
| 6 | 4p | 21.757121 | -.00263376 |
| 7 | 5p | 2.753667 | .24461891 |
| 8 | 5p | 45.291321 | -.00032230 |
| 9 | 4p | 66.770735 | -.00007971 |
| ORB.ENERGY,a.u. | -4.063700 | ||
| NORM | 1.000000 | < R > | 1.947869 | < R2 > | 4.293324 | < 1/R > | .729001 | < 1/R**2 > | 1.471656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.675799 | 1.08418816 |
| 2 | 3p | 8.346352 | -.10070135 |
| 3 | 5p | 102.972478 | -.00001292 |
| 4 | 2p | 15.119618 | .01443916 |
| 5 | 5p | 16.378818 | .00455452 |
| 6 | 4p | 32.811773 | -.00064311 |
| 7 | 5p | 6.073879 | .00440855 |
| 8 | 4p | 4.698775 | -.00267893 |
| ORB.ENERGY,a.u. | -20.061000 | ||
| NORM | 1.000000 | < R > | .367002 | < R2 > | .162959 | < 1/R > | 3.441836 | < 1/R**2 > | 16.014563 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753794 | .37920929 |
| 2 | 2s | 6.119769 | -.81140073 |
| 3 | 3s | 8.821560 | -.28427117 |
| 4 | 4s | 29.554630 | .00145683 |
| 5 | 5s | 16.985981 | -.00907569 |
| 6 | 5s | 6.721413 | .01570743 |
| 7 | 4s | 2.954531 | .00024364 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424557 | < R2 > | .210865 | < 1/R > | 3.458857 | < 1/R**2 > | 48.375973 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.174588 | .93594037 |
| 2 | 1s | 23.924519 | .06141147 |
| 3 | 2s | 14.367211 | .02506867 |
| 4 | 3s | 23.393194 | -.00880305 |
| 5 | 4s | 19.219959 | -.01225007 |
| 6 | 5s | 42.055126 | .00069370 |
| 7 | 3s | 75.078628 | -.00002818 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096377 | < R2 > | .012440 | < 1/R > | 15.645663 | < 1/R**2 > | 492.665226 |
Total Energy= -320.44178336 a.u.
Kinetic Energy= 320.44398102 a.u.
Potential Energy= -640.88576438 a.u.
Virial Ratio = -1.99999314