(1s 2 2s 2 2p 3 4p 1 ) 3 P Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 9.309033 | .19759444 |
2 | 3p | 2.326415 | 2.54185668 |
3 | 4p | 4.125771 | -1.97399293 |
4 | 5p | 7.200232 | -.17879342 |
5 | 3p | 20.449183 | -.00429353 |
6 | 5p | 2.290073 | -.25846724 |
7 | 4p | 1.811418 | .06055861 |
8 | 4p | 24.637789 | .00090074 |
9 | 2p | 35.508702 | -.00029201 |
ORB.ENERGY,a.u. | -4.152300 |
NORM | 1.000000 | < R > | 1.907308 | < R2 > | 4.112889 | < 1/R > | .731714 | < 1/R**2 > | 1.451747 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.283752 | 1.24728614 |
2 | 3p | 9.399705 | -.29920305 |
3 | 4p | 11.673267 | .05084135 |
4 | 5p | 3.103139 | .02310372 |
5 | 4p | 29.039800 | -.00147288 |
6 | 4p | 2.844449 | -.01580844 |
7 | 3p | 33.409402 | -.00037992 |
ORB.ENERGY,a.u. | -22.026000 |
NORM | 1.000000 | < R > | .336391 | < R2 > | .137680 | < 1/R > | 3.773882 | < 1/R**2 > | 19.361323 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.054394 | .42899383 |
2 | 2s | 7.926113 | -.87322800 |
3 | 3s | 7.688652 | -.29256071 |
4 | 4s | 30.983733 | .00181236 |
5 | 3s | 16.015673 | .01783640 |
6 | 5s | 7.835454 | -.01263289 |
7 | 4s | 2.562379 | .00014880 |
ORB.ENERGY,a.u. | -21.808000 |
NORM | 1.000000 | < R > | .386011 | < R2 > | .174800 | < 1/R > | 3.803922 | < 1/R**2 > | 58.851616 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.183760 | .94511964 |
2 | 1s | 26.904930 | .05233399 |
3 | 2s | 15.373266 | .01877174 |
4 | 3s | 21.575368 | -.01475381 |
5 | 4s | 32.428982 | .00255834 |
6 | 5s | 61.133922 | .00010859 |
7 | 5s | 12.843784 | .00038561 |
ORB.ENERGY,a.u. | -130.480000 |
NORM | 1.000000 | < R > | .085721 | < R2 > | .009851 | < 1/R > | 17.603049 | < 1/R**2 > | 623.863297 |
Total Energy= -457.37126324 a.u.
Kinetic Energy= 457.33207158 a.u.
Potential Energy= -914.70333482 a.u.
Virial Ratio = -2.00008570