(1s 2 2s 2 2p 6 3s 2 3p 4 ) 3 P Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2p | 6.180977 | .43597698 |
| 2 | 2p | 1.834143 | -1.02165940 |
| 3 | 3p | 3.024647 | -.12357094 |
| 4 | 2p | 15.404607 | .01439859 |
| 5 | 4p | 10.256439 | -.04309401 |
| 6 | 5p | 43.674182 | -.00009169 |
| 7 | 3p | 4.816316 | .07959851 |
| 8 | 3p | 36.309114 | -.00004844 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.472320 | < R2 > | 2.525160 | < 1/R > | .910033 | < 1/R**2 > | 1.824179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.854686 | -.09505708 |
| 2 | 1s | 13.483026 | .17630525 |
| 3 | 2s | 5.905499 | -.41903597 |
| 4 | 3s | 2.756251 | .91541146 |
| 5 | 4s | 4.879490 | .14850960 |
| 6 | 3s | 19.927053 | .00315257 |
| 7 | 5s | 2.517456 | .07806929 |
| 8 | 4s | 60.120226 | -.00005301 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.341831 | < R2 > | 2.066465 | < 1/R > | 1.017845 | < 1/R**2 > | 6.079201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.812946 | .46089824 |
| 2 | 3p | 8.178498 | .47314704 |
| 3 | 4p | 6.709103 | .15623720 |
| 4 | 5p | 4.907145 | .00798451 |
| 5 | 2p | 17.369083 | .01482227 |
| 6 | 5p | 14.469138 | -.01186736 |
| 7 | 4p | 65.946388 | .00006137 |
| 8 | 5p | 2.564991 | .00057725 |
| 9 | 3p | 101.303841 | .00001545 |
| 10 | 2p | 166.806269 | .00000115 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .375295 | < R2 > | .174352 | < 1/R > | 3.450682 | < 1/R**2 > | 16.532540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.469204 | .38443342 |
| 2 | 2s | 7.562463 | -.81199654 |
| 3 | 3s | 6.887893 | -.28027064 |
| 4 | 4s | 30.702342 | .00158778 |
| 5 | 3s | 17.555409 | .00787580 |
| 6 | 2s | 3.811112 | -.06047899 |
| 7 | 5s | 3.364371 | -.01845825 |
| 8 | 4s | 3.082847 | .02520002 |
| 9 | 3s | .882778 | -.00001720 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411769 | < R2 > | .200652 | < 1/R > | 3.559413 | < 1/R**2 > | 52.088331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580681 | 1.00987130 |
| 2 | 2s | 22.391078 | -.01730057 |
| 3 | 3s | 14.930380 | .01752862 |
| 4 | 4s | 51.588101 | -.00051276 |
| 5 | 4s | 12.552477 | .00289467 |
| 6 | 5s | 61.791729 | .00011481 |
| 7 | 5s | 15.995134 | -.00407474 |
| 8 | 2s | 34.488970 | -.00228192 |
| 9 | 2s | 86.729115 | .00004177 |
| 10 | 5s | 3.763007 | -.00002732 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.554035 | < 1/R**2 > | 621.169347 |
Total Energy= -525.30438496 a.u.
Kinetic Energy= 525.30438944 a.u.
Potential Energy= -1050.60877440 a.u.
Virial Ratio = -1.99999999