(1s 2 2s 2 2p 3 4p 1 ) 5 P Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 8.871255 | .23141715 |
2 | 3p | 2.030906 | 2.17521378 |
3 | 4p | 4.258592 | -1.57084139 |
4 | 5p | 7.350001 | -.12489468 |
5 | 3p | 23.525114 | -.00143287 |
6 | 5p | 2.342653 | -.71291269 |
7 | 4p | 2.743284 | .41222503 |
8 | 3p | 32.010878 | .00025054 |
9 | 3p | .756163 | -.00040545 |
ORB.ENERGY,a.u. | -4.219600 |
NORM | 1.000000 | < R > | 1.876973 | < R2 > | 3.985816 | < 1/R > | .756031 | < 1/R**2 > | 1.616243 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 7.266070 | 1.25293121 |
2 | 3p | 9.451958 | -.32814896 |
3 | 4p | 11.982350 | .06902681 |
4 | 5p | 23.347680 | .00329197 |
5 | 4p | 4.570990 | .00406636 |
6 | 5p | 23.303000 | -.00023279 |
7 | 5p | 4.170268 | -.00187360 |
ORB.ENERGY,a.u. | -22.093000 |
NORM | 1.000000 | < R > | .337050 | < R2 > | .138081 | < 1/R > | 3.768068 | < 1/R**2 > | 19.313608 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.075164 | .42803212 |
2 | 2s | 7.918882 | -.87058378 |
3 | 3s | 7.735461 | -.29122880 |
4 | 4s | 30.958379 | .00181959 |
5 | 3s | 16.056290 | .01740686 |
6 | 5s | 7.910235 | -.01556310 |
7 | 4s | 2.605580 | .00016208 |
ORB.ENERGY,a.u. | -21.808000 |
NORM | 1.000000 | < R > | .386020 | < R2 > | .174808 | < 1/R > | 3.803818 | < 1/R**2 > | 58.848470 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.183760 | .94515368 |
2 | 1s | 26.910452 | .05229986 |
3 | 2s | 15.383252 | .01876768 |
4 | 3s | 21.581142 | -.01475360 |
5 | 4s | 32.422853 | .00255816 |
6 | 5s | 61.273577 | .00010824 |
7 | 5s | 12.876724 | .00038954 |
ORB.ENERGY,a.u. | -130.480000 |
NORM | 1.000000 | < R > | .085721 | < R2 > | .009851 | < 1/R > | 17.603028 | < 1/R**2 > | 623.861915 |
Total Energy= -457.37225536 a.u.
Kinetic Energy= 457.39895028 a.u.
Potential Energy= -914.77120565 a.u.
Virial Ratio = -1.99994164