(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 1.274269 | 1.28022248 |
| 2 | 4d | 1.373982 | -2.56501647 |
| 3 | 3d | 2.314598 | .81012160 |
| 4 | 4d | 2.776386 | -.42082858 |
| 5 | 5d | 4.376426 | -.03585250 |
| 6 | 5d | 1.564399 | .33265425 |
| 7 | 3d | 7.861327 | .01572944 |
| 8 | 4d | 53.678867 | .00000351 |
| ORB.ENERGY,a.u. | -.898550 | ||
| NORM | 1.000001 | < R > | 3.576753 | < R2 > | 14.629005 | < 1/R > | .377923 | < 1/R**2 > | .261011 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.410440 | .37825244 |
| 2 | 2p | 2.241984 | -.30966065 |
| 3 | 3p | 2.832653 | -.81851202 |
| 4 | 2p | 9.910699 | .11364956 |
| 5 | 3p | 12.536955 | -.00889890 |
| 6 | 4p | 32.443942 | -.00048878 |
| 7 | 4p | 1.755618 | -.00975216 |
| 8 | 5p | 96.681355 | -.00001399 |
| 9 | 5p | 1.570096 | .00312950 |
| 10 | 3p | .834355 | -.00053049 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.297714 | < R2 > | 1.935303 | < 1/R > | 1.036767 | < 1/R**2 > | 2.352804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.083180 | -.24696926 |
| 2 | 1s | 13.088966 | .20515781 |
| 3 | 1s | 73.496124 | .00005933 |
| 4 | 2s | 6.044258 | -.33405775 |
| 5 | 3s | 2.858189 | 1.11190777 |
| 6 | 4s | 4.888985 | .12793861 |
| 7 | 3s | 40.439409 | -.00051633 |
| 8 | 5s | 3.211568 | -.09513913 |
| 9 | 2s | 1.433662 | .00257090 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.239066 | < R2 > | 1.744776 | < 1/R > | 1.107959 | < 1/R**2 > | 7.257688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.424377 | .43594795 |
| 2 | 3p | 8.302404 | .49294807 |
| 3 | 5p | 5.942590 | .01546829 |
| 4 | 4p | 6.972614 | .15781259 |
| 5 | 2p | 23.603964 | .00211878 |
| 6 | 5p | 41.785502 | -.00015238 |
| 7 | 3p | 3.129585 | .00159628 |
| 8 | 4p | 126.756259 | .00000163 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373825 | < R2 > | .172763 | < 1/R > | 3.460847 | < 1/R**2 > | 16.616887 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329515 | .39159799 |
| 2 | 2s | 7.642575 | -.82733300 |
| 3 | 3s | 7.015306 | -.29746820 |
| 4 | 4s | 26.084213 | .00364180 |
| 5 | 3s | 13.044284 | .01104210 |
| 6 | 4s | 6.242207 | -.03863732 |
| 7 | 5s | 4.167453 | -.00028895 |
| 8 | 4s | 36.676732 | .00056359 |
| 9 | 2s | 47.138238 | -.00009529 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410024 | < R2 > | .198729 | < 1/R > | 3.573679 | < 1/R**2 > | 52.467733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586246 | 1.00955498 |
| 2 | 2s | 22.927852 | -.01618593 |
| 3 | 3s | 15.912899 | .01520054 |
| 4 | 4s | 32.623798 | -.00071717 |
| 5 | 4s | 11.940888 | .00373884 |
| 6 | 5s | 43.220475 | .00038419 |
| 7 | 5s | 14.125352 | -.00252317 |
| 8 | 2s | 31.103484 | -.00307262 |
| 9 | 2s | 64.118754 | .00012047 |
| 10 | 5s | 2.493845 | -.00000284 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009951 | < 1/R > | 17.557233 | < 1/R**2 > | 621.345329 |
Total Energy= -519.90516443 a.u.
Kinetic Energy= 519.89234350 a.u.
Potential Energy= -1039.79750794 a.u.
Virial Ratio = -2.00002466