(1s 2 2s 2 2p 4 4p 1 ) 2 P Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 9.002364 | .17849504 |
2 | 3p | 2.182124 | 2.48286144 |
3 | 4p | 3.807310 | -1.96642827 |
4 | 5p | 6.726263 | -.18946041 |
5 | 3p | 18.773032 | -.00150678 |
6 | 5p | 2.016384 | -.13955598 |
7 | 4p | 94.745244 | .00000250 |
8 | 4p | 1.312667 | .03812981 |
9 | 3p | .994113 | -.01759470 |
ORB.ENERGY,a.u. | -3.479300 |
NORM | .999999 | < R > | 2.068728 | < R2 > | 4.837501 | < 1/R > | .668696 | < 1/R**2 > | 1.199653 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2p- electron | |
1 | 2p | 6.891497 | 1.20699186 |
2 | 3p | 8.559142 | -.22445399 |
3 | 2p | 20.736918 | .01103479 |
4 | 4p | 21.517863 | .00826678 |
5 | 5p | 2.892930 | .01683197 |
6 | 4p | 3.330705 | -.00906341 |
7 | 3p | 28.868767 | .00179668 |
ORB.ENERGY,a.u. | -19.012000 |
NORM | 1.000000 | < R > | .347384 | < R2 > | .147616 | < 1/R > | 3.674050 | < 1/R**2 > | 18.459628 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 2s- electron | |
1 | 1s | 14.198871 | .41415406 |
2 | 2s | 7.804408 | -.86001877 |
3 | 3s | 7.370342 | -.30054261 |
4 | 4s | 14.326584 | .00497905 |
5 | 3s | 18.219092 | .01361108 |
6 | 5s | 39.242699 | .00052451 |
7 | 5s | 7.202848 | -.00886911 |
8 | 4s | 3.511026 | .00034834 |
9 | 2s | 102.697188 | .00000491 |
ORB.ENERGY,a.u. | -20.023000 |
NORM | 1.000000 | < R > | .393362 | < R2 > | .181870 | < 1/R > | 3.728912 | < 1/R**2 > | 56.733194 |
j | S nl j (α j ,r) | C j | |
nl j | α j | 1s- electron | |
1 | 1s | 17.131794 | .92021242 |
2 | 1s | 24.636275 | .07615568 |
3 | 2s | 11.287987 | .02011409 |
4 | 3s | 13.634786 | -.02037990 |
5 | 4s | 16.310922 | .00900307 |
6 | 5s | 44.073605 | .00068457 |
7 | 4s | 101.533929 | -.00002661 |
ORB.ENERGY,a.u. | -127.520000 |
NORM | 1.000000 | < R > | .085848 | < R2 > | .009887 | < 1/R > | 17.586369 | < 1/R**2 > | 622.946978 |
Total Energy= -476.45305556 a.u.
Kinetic Energy= 476.39157530 a.u.
Potential Energy= -952.84463086 a.u.
Virial Ratio = -2.00012905