(1s 2 2s 2 2p 6 3s 2 3p 4 4s 1 ) 4 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 2s | .315176 | .01304982 |
| 2 | 1s | 14.003898 | .04379661 |
| 3 | 2s | 6.625008 | -.13890455 |
| 4 | 3s | 3.007191 | .37129719 |
| 5 | 4s | 1.035176 | -.73309680 |
| 6 | 5s | 1.674229 | -.31725117 |
| 7 | 5s | 19.383241 | -.00158893 |
| 8 | 3s | .405085 | -.01398108 |
| 9 | 4s | 7.951479 | -.02488731 |
| 10 | 2s | 30.284720 | -.00004706 |
| ORB.ENERGY,a.u. | -.571620 | ||
| NORM | 1.000000 | < R > | 4.025380 | < R2 > | 18.260875 | < 1/R > | .319786 | < 1/R**2 > | .693540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.799615 | .97660056 |
| 2 | 2p | 2.048562 | -1.19904360 |
| 3 | 3p | 4.517594 | -.47785827 |
| 4 | 2p | 10.353827 | .08551915 |
| 5 | 3p | 16.592627 | -.00241316 |
| 6 | 4p | 1.878785 | -.06508075 |
| 7 | 5p | 2.105561 | -.02758882 |
| 8 | 5p | 1.262216 | -.00277657 |
| 9 | 4p | 36.300225 | -.00012251 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.485034 | < R2 > | 2.578046 | < 1/R > | .903952 | < 1/R**2 > | 1.802700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.750338 | 1.94774014 |
| 2 | 1s | 18.055940 | .03252993 |
| 3 | 2s | 6.476228 | -1.18189833 |
| 4 | 3s | 1.444707 | -.11319452 |
| 5 | 4s | 5.369655 | -.36517843 |
| 6 | 5s | 8.621568 | -.12044827 |
| 7 | 2s | 1.101565 | .11763013 |
| 8 | 3s | 57.581332 | -.00020200 |
| 9 | 4s | 85.869146 | .00006161 |
| 10 | 5s | .517634 | .00012469 |
| 11 | 2s | 182.447824 | -.00000178 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.347184 | < R2 > | 2.088498 | < 1/R > | 1.015148 | < 1/R**2 > | 6.051927 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.898606 | .47244546 |
| 2 | 3p | 8.064391 | .47437640 |
| 3 | 4p | 6.703855 | .14358202 |
| 4 | 5p | 5.298669 | .00962433 |
| 5 | 2p | 20.007905 | .00691929 |
| 6 | 5p | 15.397493 | -.00704427 |
| 7 | 3p | 48.465296 | .00003773 |
| 8 | 3p | 2.312149 | .00143210 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375344 | < R2 > | .174403 | < 1/R > | 3.450328 | < 1/R**2 > | 16.529561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.486896 | .38375441 |
| 2 | 2s | 7.545699 | -.80348020 |
| 3 | 3s | 6.940465 | -.26221357 |
| 4 | 4s | 30.138845 | .00177261 |
| 5 | 3s | 17.749081 | .00700285 |
| 6 | 2s | 4.298942 | -.08042101 |
| 7 | 5s | 3.436128 | -.00808113 |
| 8 | 4s | 3.220415 | .01107514 |
| 9 | 5s | 69.018605 | .00001431 |
| 10 | 3s | .603482 | -.00006156 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411746 | < R2 > | .200629 | < 1/R > | 3.559642 | < 1/R**2 > | 52.094812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580837 | 1.00985962 |
| 2 | 2s | 22.409540 | -.01728687 |
| 3 | 3s | 14.921039 | .01754017 |
| 4 | 4s | 51.143810 | -.00050658 |
| 5 | 4s | 12.552037 | .00288784 |
| 6 | 5s | 60.183609 | .00012295 |
| 7 | 5s | 16.005770 | -.00409492 |
| 8 | 2s | 34.440246 | -.00228555 |
| 9 | 2s | 85.574630 | .00004373 |
| 10 | 5s | 3.449210 | -.00002687 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554078 | < 1/R**2 > | 621.171431 |
Total Energy= -525.68196982 a.u.
Kinetic Energy= 525.68870949 a.u.
Potential Energy= -1051.37067931 a.u.
Virial Ratio = -1.99998718